SCHEMBL1305595

SCHEMBL1305595

O=[C]NCCN1CCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
TSHR P16473 3/20 0.47
CHRM2 P08172 2/20 0.43
CHRM5 P08912 2/20 0.43
CYP2D6 P10635 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM4 P08173 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIK3CD O00329 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL4468451 0.93 KMT2A (0.46) KMT2ATSHRCHRM2CHRM5CYP2D6
SCHEMBL1306819 0.89 KMT2A (0.48) KMT2ATSHRMEN1POLBTDP1
SCHEMBL4481206 0.83 KMT2A (0.44) KMT2ATSHRMEN1POLBTDP1
SCHEMBL1306680 0.81 CHRM2 (0.46) KMT2ATSHRCHRM2CHRM5CYP2D6
SCHEMBL4396522 0.80 KMT2A (0.59) KMT2ATSHRCHRM2CHRM5CYP2D6
SCHEMBL261644 0.77 PIK3CD (0.58) KMT2ATSHRCHRM2CHRM5CYP2D6
SCHEMBL1918653 0.77 KMT2A (0.65) KMT2ATSHRPIK3CDMEN1PKM
SCHEMBL15886677 0.77 KMT2A (0.56) KMT2ATSHRCHRM2CHRM5CYP2D6
SCHEMBL4470094 0.75 SMN1; SMN2 (0.41) KMT2AALDH1A1LMNA
SCHEMBL21052112 0.75 CHRM2 (0.47) KMT2ATSHRCHRM2CHRM5CYP2D6

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US claimed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US claimed
EP-1427326-A4 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2005-06-08 EP claimed
EP-1427326-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Sugen, Inc. (US) 2004-06-16 EP claimed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US claimed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US claimed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US claimed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO claimed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US claimed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US disclosed
US-20030216410-A1 Combination therapy for the treatment of cancer PHARMACIA CORPORATION 2003-11-20 US disclosed
US-6573293-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-03 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PHARMACIA & UPJOHN COMPANY LLC 2002-10-24 US disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 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 (7 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-20030216410-A1 Combination therapy for the treatment of cancer PTGS2, PTGES2, PTGFR KMT2A 1348/4885TSHR 2666/4885CHRM2 4792/4885
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 KMT2A 2776/4885TSHR 394/4885CHRM2 233/4885
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 KMT2A 1471/4885TSHR 2154/4885CHRM2 1973/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 KMT2A 2336/4885TSHR 421/4885CHRM2 467/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KMT2A 1772/4885TSHR 2616/4885CHRM2 4567/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KMT2A 2242/4885TSHR 3452/4885CHRM2 4825/4885
US-20020156292-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 KMT2A 2242/4885TSHR 3452/4885CHRM2 4825/4885

“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.