SCHEMBL15910593

SCHEMBL15910593

Nc1cccc2c1ccn2C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DDB1 Q16531 2/20 0.37
▸ CRBN Q96SW2 2/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ GRM7 Q14831 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KEAP1 Q14145 1/20 0.33

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
SCHEMBL15910562 0.93 MEN1 (0.38) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL17422116 0.89 HTR6 (0.43) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL30098886 0.85 OPRL1 (0.40) ALDH1A1HPGDOPRM1OPRK1OPRL1
SCHEMBL15910903 0.84 LOXL2 (0.47) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL15910760 0.82 LOXL2 (0.39) DDB1CRBNLOXL2SYKKDR
SCHEMBL15910759 0.82 LOXL2 (0.39) DDB1CRBNLOXL2SYKKDR
SCHEMBL23648384 0.78 OPRM1 (0.36) OPRM1OPRK1OPRL1OPRD1GRM7
SCHEMBL1895379 0.77 PARP1 (0.49) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL4954396 0.72 ALDH1A1 (0.44) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL9131373 0.72 ABL1 (0.42) ALDH1A1TDP1DDB1CRBNKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-08 — — US disclosed
WO-2021219089-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (CN) 2021-11-04 — — WO disclosed
US-9145414-B2 1,2,4-triazine-6-carboxamide derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-29 — — US disclosed
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-11-20 — — US disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 — — EP disclosed
US-7238766-B2 Synthesis of elastomeric carborane-siloxanes by hydrosilation reactions THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-07-03 — — 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 (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-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE SYK, BTK, JAK2 ALDH1A1 3232/4885HPGD 4325/4885CYP3A4 2761/4885
US-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS ACE2, SARS1, ACE ALDH1A1 1825/4885HPGD 1861/4885CYP3A4 203/4885

“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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