SCHEMBL217837

SCHEMBL217837

C[C@@H](c1ncc(F)cn1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.31
ADAMTS4 O75173 1/20 0.30
MMP1 P03956 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
KCNH2 Q12809 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL217839 1.00 AGBL2 (0.31) AGBL2ADAMTS4MMP1MMP13MMP14
SCHEMBL347642 0.80 APLNR (0.43) KCNH2APLNR
SCHEMBL588484 0.80 APLNR (0.43) KCNH2APLNR
SCHEMBL588486 0.80 APLNR (0.43) KCNH2APLNR
SCHEMBL590717 0.79 AGBL2 (0.34) AGBL2
SCHEMBL30615155 0.79 AGBL2 (0.34) AGBL2
SCHEMBL3613440 0.71 IDH1 (0.33)
SCHEMBL347036 0.69 P2RX7 (0.40)
SCHEMBL22587371 0.69 ESR1 (0.42)
SCHEMBL22587369 0.69 ESR1 (0.42)

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
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-8486966-B2 9-(pyrazol-3-yl)-9H-purine-2-amine and 3-(pyrazol-3-yl) -3H-imidazo[4,5-B] pyridin-5-amine derivatives and their use for the treatment of cancer ASTRAZENECA AB (SE) 2013-07-16 US disclosed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 US disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US disclosed
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA R&D (SE) 2012-03-22 US disclosed
US-8088784-B2 4-(3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer ASTRAZENECA AB (SE) 2012-01-03 US disclosed
EP-2388259-A1 4- (3-aminopyrazole) pyrimidine derivatives for use as tyrosine kinase inhibitors in the treatment of cancer AstraZeneca AB (SE) 2011-11-23 EP disclosed
EP-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 EP disclosed
US-8040733-B2 Non-volatile memory device and method of operating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-10-18 US disclosed
EP-2152702-B1 AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2011-08-24 EP disclosed
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-07-28 US disclosed
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-12-23 US disclosed
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-11-20 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 AGBL2 2995/4885ADAMTS4 1833/4885MMP1 1768/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 AGBL2 2369/4885ADAMTS4 4574/4885MMP1 4754/4885
US-20080287475-A1 4-(3-Aminopyrazole) Pyrimidine Derivatives for Use as Tyrosine Kinase Inhibitors in the Treatment of Cancer ABL1, FLT3, ERBB2 AGBL2 2054/4885ADAMTS4 4345/4885MMP1 4840/4885
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS JAK2, JAK1, JAK3 AGBL2 3705/4885ADAMTS4 3862/4885MMP1 4410/4885
US-20120071480-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 AGBL2 1955/4885ADAMTS4 4382/4885MMP1 4838/4885
US-20100160325-A1 4-(3-AMINOPYRAZOLE) PYRIMIDINE DERIVATIVES FOR USE AS TYROSINE KINASE INHIBITORS IN THE TREATMENT OF CANCER ABL1, FLT3, ERBB2 AGBL2 2054/4885ADAMTS4 4345/4885MMP1 4840/4885
US-20110183954-A1 TRICYCLIC 2,4-DIAMINO-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS THPO, MPL, MCL1 AGBL2 3000/4885ADAMTS4 1459/4885MMP1 4678/4885
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER THPO, MPL, MCL1 AGBL2 4265/4885ADAMTS4 4739/4885MMP1 4839/4885

“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.