SCHEMBL1326323

SCHEMBL1326323

CN(c1cncc(Cl)n1)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.36
CDK2 P24941 1/20 0.35
GBA1 P04062 4/20 0.35
LCK P06239 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
JAK1 P23458 6/20 0.32
JAK2 O60674 3/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL3660242 0.82 ROCK2 (0.32) JAK3ALDH1A1JAK2
SCHEMBL24325943 0.79 JAK3 (0.36) JAK3GBA1LCKSMN1; SMN2MITF
SCHEMBL29571645 0.79 JAK3 (0.36) JAK3GBA1LCKSMN1; SMN2MITF
SCHEMBL29600245 0.76 JAK3 (0.35) JAK3GBA1LCKSMN1; SMN2MITF
SCHEMBL24323944 0.76 JAK3 (0.35) JAK3GBA1LCKSMN1; SMN2MITF
SCHEMBL24324142 0.75 JAK3 (0.40) JAK3GBA1LCKSMN1; SMN2MITF
SCHEMBL11462712 0.74 CDK2 (0.44) CDK2ALDH1A1
SCHEMBL3506062 0.74 GPR119 (0.47)
SCHEMBL1326628 0.72 CCNT1 (0.42) CDK2
SCHEMBL24325981 0.70 POLB (0.44) JAK3GBA1LCKJAK1JAK2

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-9115139-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
CN-102458579-B Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL 2014-11-05 CN disclosed
EP-2442870-B1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-04-16 EP disclosed
US-8324201-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-8318722-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8314088-B2 Pyrazinooxazepine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-20 US disclosed
US-20120135979-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-31 US disclosed
CN-102458579-A Pyrazinoazeza derivatives TAKEDA PHARMACEUTICAL 2012-05-16 CN disclosed
EP-2442870-A1 PYRAZINOOXAZEPINE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-04-25 EP disclosed
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-24 US disclosed
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES SASAKI SHIGEKAZU (JP) 2011-11-17 US disclosed
WO-2010147226-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 WO disclosed
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-12-16 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 (4 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-20120135979-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR5A, HTR2C, HTR2A JAK3 2063/4885CDK2 1871/4885GBA1 4700/4885
US-20100317651-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A JAK3 1780/4885CDK2 1006/4885GBA1 4460/4885
US-20110288291-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A JAK3 1780/4885CDK2 1006/4885GBA1 4460/4885
US-20110282054-A1 PYRAZINOOXAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A JAK3 1780/4885CDK2 1006/4885GBA1 4460/4885

“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.