SCHEMBL12409642

SCHEMBL12409642

Cn1ccc2cc(P(O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.55
CYP2A6 P11509 1/20 0.50
HTR2B P41595 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 2/20 0.44
HTR2C P28335 4/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL1400341 0.75 PRKCI (0.59) PRKCICYP2A6HTR2BMEN1TP53
SCHEMBL29874172 0.75 PRKCI (0.59) PRKCICYP2A6HTR2BMEN1TP53
SCHEMBL13537234 0.74 PRKCI (0.53) PRKCICYP2A6HTR2BMEN1TP53
SCHEMBL18683804 0.73 PRKCI (0.60) PRKCICYP2A6MAPTKDM4EMAOB
SCHEMBL423394 0.72 PRKCI (0.61) PRKCICYP2A6CYP1A2MAPTKDM4E
SCHEMBL29624271 0.72 PRKCI (0.61) PRKCICYP2A6CYP1A2MAPTKDM4E
SCHEMBL29636281 0.72 PRKCI (0.55) PRKCICYP2A6HTR2BMEN1TP53
SCHEMBL16633327 0.72 PRKCI (0.55) PRKCICYP2A6HTR2BMEN1TP53
SCHEMBL31035921 0.72 PRKCI (0.55) PRKCICYP2A6HTR2BMEN1TP53
SCHEMBL9400551 0.72 PRKCI (0.55) PRKCICYP2A6HTR2BMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994202-B2 Bicyclic nitrogen-containing heterocyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7960392-B2 Nitrogen-containing heterocyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-14 US disclosed
US-20100029733-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-04 US disclosed
US-20100029690-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-04 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 (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-20100029733-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PTGER1, EDNRA, NMUR1 PRKCI 3976/4885CYP2A6 3488/4885HTR2B 805/4885
US-20100029690-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PTGER1, PTGS1, PTGER2 PRKCI 4677/4885CYP2A6 1644/4885HTR2B 633/4885

“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.