SCHEMBL2919900

SCHEMBL2919900

Clc1cccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3c2SCC3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.39
▸ HTR2C P28335 4/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ CAMK2D Q13557 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR7 P34969 1/20 0.39

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
SCHEMBL2918449 0.89 HTR2C (0.47) LMNASRCHPGDTSHRNPSR1
SCHEMBL2920700 0.85 HTR2C (0.55) SRCPIK3CAHTR2CHTR2AMAPT
SCHEMBL590999 0.79 KDM4E (0.42) LMNAPIK3CAMTORJAK3NTRK2
SCHEMBL2914490 0.78 ABL1 (0.41) LMNAABL1SRCHPGDTSHR
SCHEMBL2912346 0.78 ABL1 (0.41) LMNAABL1SRCHPGDTSHR
SCHEMBL2922235 0.74 CCR4 (0.47) HPGDTSHRHSD17B10KMT2AALDH1A1
SCHEMBL2918582 0.73 MAPT (0.49) LMNAHPGDTSHRNPSR1HSD17B10
SCHEMBL3020473 0.72 SCN9A (0.41) LMNAABL1SRCPIK3CAMTOR
SCHEMBL3948726 0.71 CETP (0.45) LMNATSHRKMT2AALDH1A1MEN1
SCHEMBL2921483 0.71 SYK (0.40) HPGDTSHRHSD17B10KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354531-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 — — US disclosed
EP-1874781-B9 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2010-09-08 — — EP disclosed
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — US disclosed
EP-1874781-B1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-06-24 — — EP disclosed
EP-2060575-A1 Dihydrothienopyrimidines and their use in treating inflammatory diseases Boehringer Ingelheim International GmbH (DE) 2009-05-20 — — EP disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 — — US disclosed
CN-101163706-A Dihydrothienopyrimidines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INT (DE) 2008-04-16 — — CN disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 — — 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 (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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH LMNA 4499/4885ABL1 4206/4885SRC 4305/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B LMNA 4117/4885ABL1 3569/4885SRC 3976/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 LMNA 4589/4885ABL1 3423/4885SRC 3728/4885

“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.

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