SCHEMBL2203263

SCHEMBL2203263

c1ccc(NN2CCc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
ALOX15 P16050 1/20 0.46
CCND1 P24385 1/20 0.46
MAPT P10636 4/20 0.43
HSD17B10 Q99714 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HPGD P15428 1/20 0.42
NOTUM Q6P988 2/20 0.41

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
SCHEMBL9198251 0.86 EED (0.42) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL8979214 0.76 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL5698473 0.76 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL15466969 0.75 CASP6 (0.54) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL29985725 0.74 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL7126729 0.74 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL9205299 0.74 L3MBTL1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL20900738 0.72 MEN1 (0.48) SMN1; SMN2NFKB1ALDH1A1MEN1KMT2A
SCHEMBL7785220 0.72 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL6216654 0.72 NOTUM (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560859-A Indoloquinoline derivative and preparation method and application thereof 华中师范大学 2022-05-31 CN disclosed
EP-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP disclosed
CN-101827848-B 2- [ (2- { phenylamino } -1H-pyrrolo [2,3-d ] pyrimidin-4-yl) amino ] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC 2012-11-07 CN disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
CN-101827848-A 2- [ (2- { phenylamino } -1H-pyrrolo [2,3-d ] pyrimidin-4-yl) amino ] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer SMITHKLINE BEECHAM CORP 2010-09-08 CN disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 US disclosed
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
US-4496492-A Substituted phenylalkyl compounds THE UPJOHN COMPANY (US) 1985-01-29 US disclosed
US-4431820-A BACTERICIDES; ANTIBIOTICS THE UPJOHN COMPANY (US) 1984-02-14 US disclosed
US-4424365-A 1,2,8,8a-Cyclopropa c!benzo 1,2,-b:-4,3-b'!dipyrrol-4(5H)-ones THE UPJOHN COMPANY (US) 1984-01-03 US disclosed
US-4423229-A Composition of matter and process THE UPJOHN COMPANY (US) 1983-12-27 US disclosed
US-4423230-A REACTING A 5-HYDROXY BENZO(1,2-B: 3,4-B')DIPYRROLE WITH TRIPHENYLPHOSPHINE AND CARBONTETRAHALIDE OR N-IODOSUCCINIMIDE THE UPJOHN COMPANY (US) 1983-12-27 US disclosed
US-4423228-A CYCLIZATION OF ALCOHOL, TRIPHENYLPHOSPHINE, CARBON TETRAHALIDE THE UPJOHN COMPANY (US) 1983-12-27 US disclosed
US-4413132-A Antibiotic CC-1065 indoline intermediates THE UPJOHN COMPANY (US) 1983-11-01 US disclosed
US-4400518-A Composition of matter and process THE UPJOHN COMPANY (US) 1983-08-23 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 (1 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-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 NPC1 4404/4885RAB9A 2910/4885SMN1; SMN2 1639/4885

“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.