SCHEMBL14652157

SCHEMBL14652157

CC(C)[C@@H]1CCCN(CCC#N)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.42
KDM2B Q8NHM5 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
JAK3 P52333 4/20 0.37
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.35
GSK3B P49841 6/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 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
SCHEMBL20688078 1.00 POLB (0.48) POLBALDH1A1PKMMAPTKDM2B
SCHEMBL20688082 1.00 POLB (0.48) POLBALDH1A1PKMMAPTKDM2B
SCHEMBL12384793 0.95 POLB (0.47) POLBALDH1A1PKMMAPTKDM2B
SCHEMBL21227463 0.90 ALDH1A1 (0.47) POLBALDH1A1PKMMAPTKDM2B
SCHEMBL21246125 0.90 ALDH1A1 (0.47) POLBALDH1A1PKMMAPTKDM2B
SCHEMBL20697045 0.90 ALDH1A1 (0.47) POLBALDH1A1PKMMAPTKDM2B
SCHEMBL25069879 0.89 POLB (0.42) POLBALDH1A1PKMMAPTKDM2B
SCHEMBL24022466 0.89 POLB (0.42) POLBALDH1A1PKMMAPTKDM2B
SCHEMBL10052291 0.79 ROCK2 (0.40) ALDH1A1DRD2DRD3
SCHEMBL14519147 0.79 DRD2 (0.47) DRD2DRD3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-11174264-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-11-16 US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 US disclosed
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 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 (12 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 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 POLB 1657/4885ALDH1A1 4827/4885PKM 1134/4885
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 POLB 2122/4885ALDH1A1 3447/4885PKM 445/4885

“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.