SCHEMBL460340

SCHEMBL460340

CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.75
CYP2C19 P33261 2/20 0.75
RECQL P46063 1/20 0.75
TSHR P16473 2/20 0.67
HTT P42858 5/20 0.63
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
USP2 O75604 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL25219229 0.89 CYP1A2 (0.83) CYP1A2CYP2C19RECQLTSHRHTT
SCHEMBL1812415 0.86 CYP2C19 (0.57) CYP1A2CYP2C19RECQLTSHRHTT
SCHEMBL1812414 0.86 CYP1A2 (0.57) CYP1A2CYP2C19RECQLTSHRHTT
SCHEMBL27582896 0.86 CYP1A2 (1.00) CYP1A2CYP2C19RECQLTSHRHTT
SCHEMBL6847258 0.85 CYP2C19 (0.68) CYP1A2CYP2C19RECQLTSHRHTT
SCHEMBL27600244 0.84 RECQL (0.91) CYP1A2CYP2C19RECQLTSHRHTT
SCHEMBL6847172 0.84 CYP1A2 (0.71) CYP1A2CYP2C19RECQLTSHRHTT
SCHEMBL25522729 0.84 CYP1A2 (0.71) CYP1A2CYP2C19RECQLTSHRHTT
SCHEMBL5663865 0.83 RECQL (0.89) CYP1A2CYP2C19RECQLTSHRHTT
SCHEMBL5718940 0.83 USP2 (0.72) CYP1A2CYP2C19RECQLHTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 CN disclosed
CN-110573509-A MLKL inhibitors 北京生命科学研究所 2019-12-13 CN disclosed
US-8470805-B2 Processes for preparing piperazinium salts of KMUP and use thereof KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-06-25 US disclosed
WO-2012031445-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (CN) 2012-03-15 WO disclosed
US-20110136767-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-06-09 US disclosed
US-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF KAOHSIUNG MEDICAL UNIVERSITY 2011-05-19 US disclosed
US-4456605-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1984-06-26 US disclosed
US-4402957-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-09-06 US disclosed
US-4287195-A USEFUL AS BACTERICIDES AND FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-09-01 US disclosed
EP-0007696-A1 Heterocyclic derivatives of (4-(piperazin-1-yl-phenyloxymethyl)-1.3.-dioxolan-2-ylmethyl)-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and use as fungicides and bactericides JANSSEN PHARMACEUTICA N.V. (BE) 1980-02-06 EP 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 (3 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-20110136767-A1 PROCESSES FOR PREPARING PIPERAZINIUM SALTS OF KMUP AND USE THEREOF U2SURP, RRP15, KYNU CYP1A2 302/4885CYP2C19 1369/4885RECQL 2621/4885
US-20110118464-A1 HALOGENATED XANTHINE DERIVATIVES AND PRECURSORS THEREOF FOR ANTI-CANCER AND ANTI-METASTASIS ACTIVITY AND PREPARING METHOD THEREOF TK1, XDH, KYAT1 CYP1A2 769/4885CYP2C19 2772/4885RECQL 3896/4885
US-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 CYP1A2 4629/4885CYP2C19 3887/4885RECQL 3187/4885

“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.