SCHEMBL2912346

SCHEMBL2912346

[O-][S+]1CCc2nc(N3CCN(c4ccccc4)CC3)nc(Nc3cccc(Cl)c3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ CAMK2A Q9UQM7 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HTR2C P28335 4/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ CAMK2D Q13557 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR7 P34969 1/20 0.38

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
SCHEMBL4063860 0.92 LMNA (0.45) ABL1SRCLMNAPIK3CAMTOR
SCHEMBL588907 0.90 MEN1 (0.42) LMNACAMK2DSCN9AMEN1KMT2A
SCHEMBL4075744 0.89 LMNA (0.38) ABL1SRCLMNAPIK3CAMTOR
SCHEMBL590220 0.88 EGFR (0.41) SRCNPSR1ALDH1A1MAPTMEN1
Trifluoroacetic Acid SCHEMBL589894 0.86 C1S (0.42) LMNAPIK3CAMTORJAK3NTRK2
SCHEMBL2922610 0.86 HTR2C (0.54) SRCPIK3CAHTR2CHTR2AMAPT
SCHEMBL8516432 0.84 HTR2C (0.38) NTRK2TSHRHTR2CHTR2ASCN9A
SCHEMBL590116 0.83 MAPT (0.43) LMNAHPGDTSHRHSD17B10SCN9A
SCHEMBL8038904 0.83 SCN9A (0.41) NTRK2HTR2CHTR2ASCN9AKDM4E
SCHEMBL8035437 0.81 ABL1 (0.37) ABL1HTR2CHTR2ASCN9AKDM4E

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 9 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
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 ABL1 4206/4885SRC 4305/4885LMNA 4499/4885
US-20100197656-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPMT, MALT1, IL1B ABL1 3569/4885SRC 3976/4885LMNA 4117/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 ABL1 3423/4885SRC 3728/4885LMNA 4589/4885

“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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