SCHEMBL8007815

SCHEMBL8007815

Cc1ccc2nc(C(N)=O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NCK1 P16333 1/20 0.55
▸ BACE1 P56817 1/20 0.55
▸ HSD17B14 Q9BPX1 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ GRM2 Q14416 9/20 0.51
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ CYP2A6 P11509 1/20 0.41
▸ SLC14A1 Q13336 1/20 0.41
▸ PIM1 P11309 1/20 0.41

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
SCHEMBL5623414 0.87 GRM2 (0.56) HSD17B14CYP1A2GRM2MEN1KMT2A
SCHEMBL6194060 0.84 MEN1 (0.57) NCK1BACE1HSD17B14CYP1A2MEN1
SCHEMBL26802086 0.84 CYP1A2 (0.55) NCK1BACE1HSD17B14CYP1A2MEN1
SCHEMBL7992653 0.79 HSD17B14 (0.51) NCK1BACE1HSD17B14CYP1A2MEN1
SCHEMBL15294421 0.79 HSD17B14 (0.51) NCK1BACE1HSD17B14CYP1A2MEN1
SCHEMBL16880740 0.79 HSD17B14 (0.51) NCK1BACE1HSD17B14CYP1A2MEN1
SCHEMBL12520183 0.79 HSD17B14 (0.51) NCK1BACE1HSD17B14CYP1A2GRM2
SCHEMBL18077323 0.79 SCN7A (0.46) HSD17B14KMT2ANPC1RAB9AALDH1A1
SCHEMBL5625543 0.79 GRM2 (0.47) BACE1GRM2PTPN1PIM1
SCHEMBL31733680 0.79 BACE1 (0.55) BACE1HSD17B14GRM2PTPN1PIM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765764-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2014-07-01 — — US disclosed
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 — — EP disclosed
US-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA, INC. (JP) 2013-03-28 — — US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 — — US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 — — 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 (2 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-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 NCK1 214/4885BACE1 4884/4885HSD17B14 3212/4885
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 NCK1 2598/4885BACE1 155/4885HSD17B14 689/4885

“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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