SCHEMBL588473

SCHEMBL588473

CC(=O)NC(C)c1ccc(F)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.48
NR1I2 O75469 2/20 0.46
MAPK1 P28482 3/20 0.45
P2RX3 P56373 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
ACACB O00763 5/20 0.41
POLB P06746 1/20 0.41
ACACA Q13085 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
CACNA1I Q9P0X4 2/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CNR2 P34972 1/20 0.38
KCNH2 Q12809 1/20 0.38
FFAR2 O15552 1/20 0.38

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
SCHEMBL12069877 1.00 APLNR (0.48) APLNRNR1I2MAPK1P2RX3P2RX2
SCHEMBL588472 1.00 APLNR (0.48) APLNRNR1I2MAPK1P2RX3P2RX2
SCHEMBL1927306 0.87 APLNR (0.48) APLNRNR1I2MAPK1P2RX3P2RX2
SCHEMBL420311 0.87 NR1I2 (0.48) APLNRNR1I2MAPK1P2RX3P2RX2
SCHEMBL1927308 0.87 NR1I2 (0.48) APLNRNR1I2MAPK1P2RX3P2RX2
SCHEMBL1693620 0.87 NR1I2 (0.48) APLNRNR1I2MAPK1P2RX3P2RX2
SCHEMBL15022711 0.81 ESR1 (0.46) ACACBACACAL3MBTL1CACNA1I
SCHEMBL15022712 0.81 ESR1 (0.46) ACACBACACAL3MBTL1CACNA1I
SCHEMBL588802 0.80 B3GNT2 (0.47) ACACBCACNA1I
SCHEMBL588803 0.80 B3GNT2 (0.47) ACACBCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021146629-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2021-07-22 WO disclosed
EP-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 EP disclosed
EP-2791139-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS Dr Reddys Laboratories Ltd (IN) 2017-11-08 EP disclosed
US-9289419-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-03-22 US disclosed
US-9289419-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-03-22 US disclosed
US-9289419-B2 Substituted heterocyclic compounds as tropomyosin receptor kinase a (TrkA) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2016-03-22 US disclosed
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-18 US disclosed
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-18 US disclosed
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2015-06-18 US disclosed
US-20100204246-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO (4,5-B) PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-08-12 US disclosed
EP-2152702-A1 AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-02-17 EP disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009013545-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-01-29 WO disclosed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 US disclosed
WO-2008135786-A1 AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US disclosed
EP-1899323-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2008-03-19 EP disclosed
WO-2006123113-A2 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-11-23 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-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK APLNR 920/4885NR1I2 515/4885MAPK1 62/4885
US-20100204246-A1 5-AMINOPYRAZOL-3-YL-3H-IMIDAZO (4,5-B) PYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ABL1, MCL1, ETV6 APLNR 2720/4885NR1I2 619/4885MAPK1 1091/4885
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 APLNR 3478/4885NR1I2 1861/4885MAPK1 256/4885
US-20150164869-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TRKA) INHIBITORS NTRK1, MUSK, NTRK3 APLNR 1552/4885NR1I2 1908/4885MAPK1 490/4885

“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.