SCHEMBL196987

SCHEMBL196987

N#CCNc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 5/20 0.44
GAA P10253 4/20 0.44
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.39
MAPK10 P53779 1/20 0.39
RPS6KA2 Q15349 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 1/20 0.38
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36

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
Hydrochloric Acid SCHEMBL25366648 0.98 CA2 (0.45) CA2CA9ALDH1A1GAAHTT
SCHEMBL5028293 0.80 GAA (0.61) CA2CA9ALDH1A1GAAHTT
SCHEMBL8395286 0.79 MAPT (0.58) CA2CA9ALDH1A1GAAHTT
SCHEMBL566097 0.77 MAPT (0.53) CA2CA9ALDH1A1GAAMAPT
SCHEMBL5914229 0.77 RPS6KA2 (0.42) ALDH1A1GAAMAPTRPS6KA2
SCHEMBL5697708 0.77 CA2 (0.46) CA2CA9ALDH1A1GAAHTT
SCHEMBL13192623 0.77 CA2 (0.46) CA2CA9ALDH1A1GAAMAPT
SCHEMBL7109290 0.77 ALDH1A1 (0.47) CA2CA9ALDH1A1GAAMAPT
SCHEMBL9172643 0.77 LOXL2 (0.48) CA2CA9ALDH1A1GAAHTT
SCHEMBL17373965 0.77 CA2 (0.46) CA2CA9ALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
US-20240174666-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC. (US) 2024-05-30 US disclosed
EP-3843850-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC (US) 2023-11-15 EP disclosed
US-11780835-B2 Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases ARRAY BIOPHARMA INC. (US) 2023-10-10 US disclosed
WO-2023156864-A1 PYRIDAZINONE-BASED COMPOUNDS AS AXL, C-MET, AND MER INHIBITORS AND METHODS OF USE THEREOF CMG PHARMACEUTICAL CO., LTD. (KR) 2023-08-24 WO disclosed
WO-2023156864-A1 PYRIDAZINONE-BASED COMPOUNDS AS AXL, C-MET, AND MER INHIBITORS AND METHODS OF USE THEREOF CMG PHARMACEUTICAL CO., LTD. (KR) 2023-08-24 WO disclosed
US-20230257364-A1 PYRIDAZINONE-BASED COMPOUNDS AS AXL, C-MET, AND MER INHIBITORS AND METHODS OF USE THEREOF CMG PHARMACEUTICAL CO., LTD. (KR) 2023-08-17 US disclosed
US-20230257364-A1 PYRIDAZINONE-BASED COMPOUNDS AS AXL, C-MET, AND MER INHIBITORS AND METHODS OF USE THEREOF CMG PHARMACEUTICAL CO., LTD. (KR) 2023-08-17 US disclosed
US-20230257364-A1 PYRIDAZINONE-BASED COMPOUNDS AS AXL, C-MET, AND MER INHIBITORS AND METHODS OF USE THEREOF CMG PHARMACEUTICAL CO., LTD. (KR) 2023-08-17 US disclosed
US-20230011441-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES ARRAY BIOPHARMA INC. (US) 2023-01-12 US disclosed
WO-2005087748-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
EP-1576108-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-09-21 EP disclosed
EP-1444982-A1 The use of purine derivatives as selective kinase inhibitors MERCKLE GMBH (DE) 2004-08-11 EP disclosed
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them DIVERSA CORPORATION (US) 2004-01-22 US disclosed
US-20040002147-A1 Nitrilases DIVERSA CORPORATION 2004-01-01 US disclosed
WO-2003097810-A2 NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2003-11-27 WO disclosed
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia DIVERSA CORPORATION 2003-07-03 US disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed
CN-1097193-A The preparation of sterilant and intermediate product thereof RHONE POULENC AGROCHIMIE (FR) 1995-01-11 CN disclosed
EP-0599183-A1 Manufacturing of pesticides and intermediates RHONE-POULENC AGROCHIMIE (FR) 1994-06-01 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-20230257364-A1 PYRIDAZINONE-BASED COMPOUNDS AS AXL, C-MET, AND MER INHIBITORS AND METHODS OF USE THEREOF MERTK, MET, AXL CA2 1496/4885CA9 2613/4885ALDH1A1 2890/4885
US-20230011441-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES RET, MERTK, MET CA2 1938/4885CA9 1222/4885ALDH1A1 2121/4885
US-20040014195-A1 Nitrilases, nucleic acids encoding them and methods for making and using them RNGTT, NSUN2, NSUN3 CA2 882/4885CA9 1247/4885ALDH1A1 1350/4885
US-20040002147-A1 Nitrilases RNGTT, DNTT, NOP2 CA2 674/4885CA9 1080/4885ALDH1A1 953/4885
US-20030124698-A1 Which stereoselectively hydrolyze nitrites or cyanohydrins into acids and ammonia NIT2, DNPH1, ASNS CA2 103/4885CA9 165/4885ALDH1A1 1083/4885
US-20240174666-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES RET, MERTK, MET CA2 1840/4885CA9 1245/4885ALDH1A1 2323/4885
US-11780835-B2 Pyrazolo[3,4-b]pyridine compounds as inhibitors of TAM and MET kinases RET, MERTK, MET CA2 1938/4885CA9 1222/4885ALDH1A1 2121/4885

“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.