SCHEMBL3322017

SCHEMBL3322017

Cc1nccc2nc(NCCN3CCN(S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.46
GBA1 P04062 2/20 0.44
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 3/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
EPHX1 P07099 1/20 0.40
EPHX2 P34913 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL3326619 0.90 PIK3CA (0.43) MCHR1ABL1BCRL3MBTL1PIK3CA
SCHEMBL3326349 0.89 PIK3CA (0.51) PIK3CAMTORKMT2A
SCHEMBL3321769 0.89 L3MBTL1 (0.49) GBA1L3MBTL1PIK3CAMTORMEN1
SCHEMBL3320920 0.87 PIK3CA (0.48) HTR2APIK3CAMTORMEN1KMT2A
SCHEMBL3323479 0.86 PIK3CA (0.42) L3MBTL1PIK3CAMTOR
SCHEMBL3318951 0.86 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL3320615 0.86 KMT2A (0.48) GBA1PIK3CAMTORMEN1KMT2A
SCHEMBL3320279 0.86 PIK3CA (0.48) L3MBTL1PIK3CAMTORMEN1KMT2A
SCHEMBL3324511 0.86 NMT1 (0.43) GBA1L3MBTL1PIK3CAMTOR
SCHEMBL3322301 0.85 PIK3CA (0.42) MCHR1DRD2HTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US claimed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US claimed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MCHR1 4183/4885GBA1 3653/4885ABL1 796/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MCHR1 3240/4885GBA1 2709/4885ABL1 1110/4885
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, AGTR1, AGTR2 MCHR1 172/4885GBA1 1453/4885ABL1 3874/4885

“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.