Sugi Predict

Sugi Predict / Compounds / SCHEMBL259540

SCHEMBL259540

SCHEMBL259540

Cc1cnn(Cc2ccccc2)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.69
▸ RECQL P46063 1/20 0.53
▸ BRD4 O60885 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ POLB P06746 2/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ PPARG P37231 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NCOA2 Q15596 2/20 0.43
▸ NCOA1 Q15788 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPBWR1 P48145 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL4361457 0.83 TSHR (0.57) TSHRRECQLBRD4KDM4EHSD17B10
SCHEMBL1371718 0.81 TSHR (1.00) TSHRRECQLBRD4KDM4EHSD17B10
SCHEMBL19223000 0.81 SLC2A1 (0.53) TSHRKDM4ENPSR1ALDH1A1LMNA
SCHEMBL17397366 0.81 TSHR (0.56) TSHRRECQLBRD4KDM4EHSD17B10
SCHEMBL23399007 0.81 TSHR (0.56) TSHRRECQLBRD4KDM4EHSD17B10
SCHEMBL25236370 0.81 TSHR (0.65) TSHRRECQLBRD4KDM4EHSD17B10
SCHEMBL17619656 0.81 TSHR (0.65) TSHRRECQLBRD4KDM4EHSD17B10
SCHEMBL16376958 0.81 TSHR (0.51) TSHRBRD4KDM4EPOLBALDH1A1
SCHEMBL15555006 0.81 TSHR (0.65) TSHRRECQLBRD4KDM4EHSD17B10
SCHEMBL26636843 0.81 TSHR (0.56) TSHRRECQLBRD4KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 — — US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 — — US disclosed
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-11-17 — — US disclosed
US-9371331-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-21 — — US disclosed
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-09-17 — — US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 — — US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 — — US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 — — US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 — — US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 — — US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 — — US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 — — US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 — — US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 — — 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 (7 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-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 TSHR 4426/4885RECQL 1840/4885BRD4 415/4885
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TSHR 4005/4885RECQL 4040/4885BRD4 461/4885
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 TSHR 4426/4885RECQL 1840/4885BRD4 415/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TSHR 4005/4885RECQL 4040/4885BRD4 461/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TSHR 4005/4885RECQL 4040/4885BRD4 461/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 TSHR 4426/4885RECQL 1840/4885BRD4 415/4885
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 TSHR 4426/4885RECQL 1840/4885BRD4 415/4885

“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.