SCHEMBL3022901

SCHEMBL3022901

COC(=O)[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cc3nc(NC(=O)c4cccnc4)nn23)CC1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.86
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ JAK2 O60674 4/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CRACR2A Q9BSW2 2/20 0.38
▸ CSF1R P07333 2/20 0.38
▸ BRAF P15056 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL3022906 1.00 MAP3K5 (0.86) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2788575 0.93 MAP3K5 (1.00) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2788750 0.89 MAP3K5 (0.93) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2810841 0.89 MAP3K5 (0.93) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2787335 0.88 MAP3K5 (0.91) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2787745 0.88 MAP3K5 (0.91) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL3020554 0.87 MAP3K5 (0.81) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL12317257 0.83 MAP3K5 (0.81) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2790472 0.82 MAP3K5 (0.80) MAP3K5MEN1TSHRKMT2ATRPA1
SCHEMBL2772467 0.82 MAP3K5 (0.76) MAP3K5MEN1TSHRKMT2ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185562-B1 PYRROLOPYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES JANSSEN PHARMACEUTICA NV (BE) 2015-12-02 — — EP disclosed
US-8778919-B2 Cyclic anilino—pyridinotriazines JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 — — US disclosed
US-8318731-B2 Pyrrolopyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 — — US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-20100222574-A1 CYCLIC ANILINO - PYRIDINOTRIAZINES JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-02 — — US disclosed
US-20100204197-A1 PYRROLOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
EP-2185562-A1 PYRROLOPYRIMIDINES Janssen Pharmaceutica, N.V. (BE) 2010-05-19 — — EP disclosed
EP-1904461-B1 CYCLIC ANILINO-PYRIDINOTRIAZINES AS GSK-3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-08-12 — — EP disclosed
US-5981580-A IN WHICH THE CARBOXY-TERMINUS HAS BEEN MODIFIED TO FORM VARIOUS AMIDES, ESTERS, KETONES, ALCOHOLS, ALCOHOL ESTERS AND NITRITES THEREOF, AND ARE USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME G. D. SEARLE & CO. (US) 1999-11-09 — — US disclosed
WO-1999050229-A1 FATTY ACID ANALOGS AND PRODRUGS G.D. SEARLE & CO. (US) 1999-10-07 — — WO disclosed
US-5952377-A SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS; TREATING AIDS, LENTIVIRUSES SUCH AS THE HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-09-14 — — US disclosed
US-5929110-A USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AND AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS OF SUCH AGENTS G. D. SEARLE & CO. (US) 1999-07-27 — — US disclosed
US-5859052-A TREATING LENTIVIRUS INFECTIONS, ESPECIALLY HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-01-12 — — US disclosed
US-5744631-A Fatty acid analogs and prodrugs G.D. SEARLE & CO. (US) 1998-04-28 — — US disclosed
US-5719290-A METHYLOXYUNDECYL- OR DECYLOXYETHYL-NITRILE OR TETRAZOLE DERIVATIVES; VIRICIDES G. D. SEARLE & CO. (US) 1998-02-17 — — US disclosed
US-5672769-A CHEMICAL INTERMEDIATES FOR VIRICIDES, FUNGICIDES G. D. SEARLE & CO. (US) 1997-09-30 — — US disclosed
US-5670650-A ANTIVIRAL AND ANTIFUNGAL AGENTS G. D. SEARLE & CO. (US) 1997-09-23 — — US disclosed
US-5599947-A VIRICIDES, FUNGICIDES OR THEIR PRODRUGS G. D. SEARLE & CO. (US) 1997-02-04 — — 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 (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-20100222574-A1 CYCLIC ANILINO - PYRIDINOTRIAZINES NR4A1, NR4A2, NR5A2 MAP3K5 3383/4885MEN1 2221/4885TSHR 767/4885
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885MEN1 3192/4885TSHR 2204/4885
US-20100204197-A1 PYRROLOPYRIMIDINES PLK4, PLK2, PLK3 MAP3K5 53/4885MEN1 4512/4885TSHR 2994/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MAP3K5 1/4885MEN1 3192/4885TSHR 2204/4885

“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.

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