SCHEMBL633663

SCHEMBL633663

Cc1cc(NC(=O)c2sccc2N)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 6/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.48
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 3/20 0.47
TP53 P04637 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.46
THRB P10828 1/20 0.44

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
SCHEMBL1703373 0.80 NPC1 (0.56) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL1703648 0.78 RAB9A (0.56) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL20303197 0.75 MAPT (0.43) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL20838928 0.74 ADORA1 (0.65) RAB9ANPC1MAPT
SCHEMBL633920 0.74 RAB9A (0.59) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL24670696 0.73 RAB9A (0.65) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL29803640 0.73 RAB9A (0.65) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL1703428 0.73 DHODH (0.51) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL1703768 0.73 RAB9A (0.64) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL4015806 0.73 L3MBTL1 (0.50) RAB9ANPC1MAPTLMNAKMT2A

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
EP-1590328-B1 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI PHARM INC (US) 2012-02-22 EP disclosed
US-7696225-B2 (2-carboxamido)(3-Amino) thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
US-7524859-B2 (2-carboxamido)(3-amino)thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2009-04-28 US disclosed
EP-1590328-A4 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI PHARM INC (US) 2007-09-19 EP disclosed
EP-1807419-A1 (2-CARBOXAMIDO)(3-AMINO) THIOPHENE COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
US-20060247275-A1 (2-carboxamido)(3-amino)thiophene compounds CREW ANDREW P 2006-11-02 US disclosed
US-7101893-B2 (2-Carboxamido)(3-amino)thiophene compounds OSI PHARMACEUTICALS, INC. (US) 2006-09-05 US disclosed
WO-2006047574-A1 (2-CARBOXAMIDO)(3-AMINO) THIOPHENE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-05-04 WO disclosed
EP-1590328-A2 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-6949563-B2 (2-carboxamido)(3-amino)thiophene compounds OSI PHARMACEUTICALS, INC. 2005-09-27 US disclosed
US-20050192320-A1 (2-Carboxamido)(3-amino)thiophene compounds CREW ANDREW P (US) 2005-09-01 US disclosed
US-20050154014-A1 (2-carboxamido)(3-amino) thiophene compounds OSI PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20040186124-A1 (2-carboxamido)(3-amino)thiophene compounds OSI PHARMACEUTICALS, INC. 2004-09-23 US disclosed
WO-2004063330-A2 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2004-07-29 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 (4 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-20040186124-A1 (2-carboxamido)(3-amino)thiophene compounds ABL1, NAT1, KRAS RAB9A 853/4885NPC1 1413/4885MAPT 3724/4885
US-20050154014-A1 (2-carboxamido)(3-amino) thiophene compounds AADAC, PAM, TPMT RAB9A 1825/4885NPC1 2915/4885MAPT 3429/4885
US-20060247275-A1 (2-carboxamido)(3-amino)thiophene compounds PCNA, MKI67, MYC RAB9A 2855/4885NPC1 913/4885MAPT 3594/4885
US-20050192320-A1 (2-Carboxamido)(3-amino)thiophene compounds PCNA, MKI67, TPMT RAB9A 2384/4885NPC1 991/4885MAPT 3399/4885

“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.