SCHEMBL5953401

SCHEMBL5953401

c1ccc(-c2cc3ccccn3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
PDE10A Q9Y233 3/20 0.49
KMT2A Q03164 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
MAPK8 P45983 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CDK7 P50613 1/20 0.45
TYRO3 Q06418 1/20 0.45
LRRK2 Q5S007 1/20 0.45
AURKB Q96GD4 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MIF P14174 1/20 0.43
HDAC4 P56524 1/20 0.43
TP53 P04637 2/20 0.41
AKT1 P31749 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL31024123 0.89 HRH3 (0.47) HRH3PDE10AKMT2AMAP4K4ABL1
SCHEMBL4872294 0.87 HRH3 (0.49) HRH3PDE10AKMT2AMAP4K4ABL1
SCHEMBL14821696 0.84 CYP19A1 (0.51) HRH3MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL31024147 0.84 CYP19A1 (0.51) HRH3MAP4K4ABL1MAPK8CSNK1A1
SCHEMBL13105299 0.84 NPC1 (0.52) HRH3PDE10AKMT2AMAP4K4ABL1
SCHEMBL31024091 0.84 HRH3 (0.44) HRH3PDE10AKMT2AKDM4EALDH1A1
SCHEMBL11316335 0.83 HRH3 (0.55) HRH3KMT2ATP53KDM4EALDH1A1
SCHEMBL21306362 0.82 MEN1 (0.41) HRH3PDE10AKMT2AMAP4K4ABL1
SCHEMBL31024120 0.81 MAPT (0.50) HRH3KMT2ACLK4TP53KDM4E
SCHEMBL12688315 0.80 KMT2A (0.42) HRH3PDE10AKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153730-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 US disclosed
US-20210300911-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-30 US disclosed
US-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-20 US disclosed
CN-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 CN disclosed
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-19 US disclosed
EP-3569598-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) Dana Farber Cancer Institute, Inc. (US) 2019-11-20 EP disclosed
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-15 US disclosed
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 US disclosed
EP-2822935-B1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA FARBER CANCER INST INC (US) 2019-05-15 EP disclosed
US-10144730-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-04 US disclosed
US-5179103-A Diuretics, hypotensive agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1993-01-12 US disclosed
US-5155114-A Treating or preventing renal toxicity, nephrosis, nephritis FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-10-13 US disclosed
US-5102878-A Treating psychological, bone, cardiovascular, blood disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5102869-A Urogenital disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
US-5087629-A Diuretics, hypotensive agents; cardiotonic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-11 US disclosed
US-4994453-A Treating asthma, diabetes, obesity, immunosuppression FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
US-4985444-A Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0379979-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-01 EP disclosed
US-4925849-A DIURETICS, HYPOTENSIVE AGENTS, CARIOTONIC AGENTS AND ANTIEDEMIC AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-15 US disclosed
EP-0299209-A2 Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-18 EP 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-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK HRH3 1542/4885PDE10A 632/4885KMT2A 3907/4885
US-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) CNKSR1, MAPK1, MAP3K1 HRH3 3986/4885PDE10A 3636/4885KMT2A 2589/4885
US-20210300911-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 HRH3 3986/4885PDE10A 3636/4885KMT2A 2589/4885
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 HRH3 3986/4885PDE10A 3636/4885KMT2A 2589/4885
US-20220153730-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 HRH3 3986/4885PDE10A 3636/4885KMT2A 2589/4885
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 HRH3 3986/4885PDE10A 3636/4885KMT2A 2589/4885
US-10144730-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) CNKSR1, MAPK1, MAP3K1 HRH3 3986/4885PDE10A 3636/4885KMT2A 2589/4885

“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.