SCHEMBL16596919

SCHEMBL16596919

CCP(CC)c1nc2ccccc2n1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TSHR P16473 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL17960610 0.84 LMNA (0.50) LMNAALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL16596922 0.82 LMNA (0.48) LMNAALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL16586347 0.82 LMNA (0.48) LMNAALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL17975237 0.81 CYP1A2 (0.51) LMNAALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL16596946 0.79 LMNA (0.45) LMNAALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL16596917 0.78 ALDH1A1 (0.50) LMNAALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL3588982 0.76 ALDH1A1 (0.56) LMNAALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL16596915 0.71 HTT (0.46) LMNAALDH1A1KMT2ANPSR1HTT
SCHEMBL17975232 0.68 KMT2A (0.48) LMNAALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL17960722 0.68 MGAM (0.37) LMNAALDH1A1KMT2ANPSR1CYP1A2

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-10093692-B2 Phosphines, synthesis thereof and their use in catalysis THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2018-10-09 — — US claimed
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — US claimed
US-10093692-B2 Phosphines, synthesis thereof and their use in catalysis THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2018-10-09 — — US disclosed
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — US disclosed
US-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2016-08-04 — — US disclosed
WO-2015039606-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2015-03-26 — — 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-20160222042-A1 NOVEL PHOSPHINES, SYNTHESIS THEREOF AND THEIR USE IN CATALYSIS PHOSPHO1, PPIP5K2, PDXK LMNA 4653/4885ALDH1A1 3824/4885KMT2A 1445/4885
US-10093692-B2 Phosphines, synthesis thereof and their use in catalysis PPIP5K2, PHOSPHO1, ITPA LMNA 4529/4885ALDH1A1 3683/4885KMT2A 1414/4885

“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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