SCHEMBL985121

SCHEMBL985121

Cc1cccc(C(=O)Cc2ccnc3ccc(C#N)cc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
TGFBR1 P36897 4/20 0.39
SLC22A12 Q96S37 1/20 0.39
CDK8 P49336 7/20 0.39
CCNC P24863 4/20 0.39
CDK19 Q9BWU1 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
P2RX7 Q99572 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAP4K2 Q12851 1/20 0.35
HASPIN Q8TF76 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35

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
SCHEMBL3747756 0.83 ALDH1A1 (0.39) TGFBR1SLC22A12SMN1; SMN2NPC1RAB9A
SCHEMBL31461243 0.83 ALDH1A1 (0.39) TGFBR1SLC22A12SMN1; SMN2NPC1RAB9A
SCHEMBL24322279 0.83 CDK8 (0.39) GRM5TGFBR1SLC22A12CDK8CCNC
SCHEMBL5235225 0.82 CYP1A2 (0.49) GRM5TGFBR1SMN1; SMN2RAB9AALDH1A1
SCHEMBL29959459 0.82 CYP1A2 (0.49) GRM5TGFBR1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23851296 0.81 MTNR1A (0.52) TGFBR1MAPK1ALDH1A1LMNA
SCHEMBL31461239 0.81 MTNR1A (0.52) TGFBR1MAPK1ALDH1A1LMNA
SCHEMBL4873486 0.80 SMN1; SMN2 (0.47) TGFBR1SMN1; SMN2NPC1RAB9APKM
SCHEMBL12922149 0.80 P2RX7 (0.36) GRM5TGFBR1SLC22A12SMN1; SMN2NPC1
SCHEMBL5239692 0.80 TGFBR1 (0.41) TGFBR1SLC22A12CDK8CCNCMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779115-B Five-membered heteroaromatic ring bridged ring derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2021-02-26 CN disclosed
US-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-02-02 US disclosed
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-02-20 US disclosed
EP-3527570-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-08-21 EP disclosed
WO-2018068759-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2018-04-19 WO disclosed
EP-1910370-B1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR LILLY CO ELI (US) 2015-04-22 EP disclosed
EP-1910370-B1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR LILLY CO ELI (US) 2015-04-22 EP disclosed
US-7872020-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2011-01-18 US disclosed
US-7872020-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2011-01-18 US disclosed
US-20100120854-A1 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
US-20100120854-A1 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
EP-1910370-A1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR ELI LILLY AND COMPANY (US) 2008-04-16 EP disclosed
WO-2007018818-A1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR ELI LILLY AND COMPANY (US) 2007-02-15 WO disclosed
WO-2007018818-A1 A PYRIDIN QUINOLIN SUBSTITUTED PYRROLO [1,2-B] PYRAZOLE MONOHYDRATE AS TGF-BETA INHIBITOR ELI LILLY AND COMPANY (US) 2007-02-15 WO 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 (3 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-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof TGFBR1, TGFB2, TGFB1 GRM5 1869/4885TGFBR1 1/4885SLC22A12 1880/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 GRM5 1869/4885TGFBR1 1/4885SLC22A12 1880/4885
US-20100120854-A1 TGF-BETA INHIBITORS TGFBR1, TGFBR2, SMAD3 GRM5 2490/4885TGFBR1 1/4885SLC22A12 3800/4885

“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.