SCHEMBL17877832

SCHEMBL17877832

CC(C)C1CCN(CCC#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
PKM P14618 1/20 0.56
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 4/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK1 P23458 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
GAA P10253 3/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK2 O60674 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21227463 0.89 ALDH1A1 (0.47) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL21246125 0.89 ALDH1A1 (0.47) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL20697045 0.89 ALDH1A1 (0.47) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL25075207 0.81 GNAI3 (0.38) POLBTSHR
SCHEMBL26505365 0.80 ALDH1A1 (0.50) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL14330432 0.80 MAP3K12 (0.34) ALDH1A1MAPTTLR9TLR8TLR7
SCHEMBL25069879 0.80 POLB (0.42) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL14652157 0.79 POLB (0.48) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL20688082 0.79 POLB (0.48) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL20688078 0.79 POLB (0.48) ALDH1A1PKMPOLBSMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-20230002351-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-01-05 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-11174264-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-11-16 US disclosed
WO-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 WO disclosed
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 WO disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 US disclosed
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-9605003-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11174264-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885PKM 1134/4885POLB 1657/4885
US-20230002351-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 ALDH1A1 1652/4885PKM 439/4885POLB 1034/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885PKM 1134/4885POLB 1657/4885
US-11661410-B2 Tricyclic compounds as histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 ALDH1A1 1652/4885PKM 439/4885POLB 1034/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885PKM 1134/4885POLB 1657/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ALDH1A1 3879/4885PKM 318/4885POLB 1834/4885
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885PKM 1134/4885POLB 1657/4885
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ALDH1A1 3187/4885PKM 414/4885POLB 1854/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 ALDH1A1 1534/4885PKM 200/4885POLB 784/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885PKM 1134/4885POLB 1657/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ALDH1A1 3042/4885PKM 488/4885POLB 2458/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB ALDH1A1 2702/4885PKM 1127/4885POLB 718/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A ALDH1A1 3042/4885PKM 488/4885POLB 2458/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ALDH1A1 3154/4885PKM 309/4885POLB 1743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.