SCHEMBL3640296

SCHEMBL3640296

NCc1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.64
RXRB P28702 1/20 0.64
RXRG P48443 1/20 0.64
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP4F2 P78329 6/20 0.38
CYP4A11 Q02928 6/20 0.38
SMO Q99835 1/20 0.37
CSNK2A1 P68400 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MTOR P42345 1/20 0.33
CNR2 P34972 1/20 0.33
ATR Q13535 4/20 0.33
GAA P10253 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
SCHEMBL7132596 0.90 RXRA (0.55) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL10231475 0.88 RXRA (0.62) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL10231496 0.88 RXRA (0.67) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL2471554 0.88 RXRA (0.64) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL29433054 0.88 RXRA (0.67) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL10231494 0.88 RXRA (0.64) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL24012801 0.87 RXRA (0.59) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL786523 0.86 RXRA (0.63) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL14553594 0.85 RXRA (0.62) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL14553593 0.85 RXRA (0.65) RXRARXRBRXRGPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
EP-2134713-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2009-12-23 EP disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2001079195-A9 PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INT INC (US) 2003-10-23 WO disclosed
US-6541467-B1 And at P1 have a six-membered heterocyclic ring having two ring nitrogen ring atoms and the remainder of the ring atoms carbon atoms. CORVAS INTERNATIONAL, INC. 2003-04-01 US disclosed
US-6506754-B1 Compounds as anticoagulants CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
US-6506761-B1 Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
US-6506760-B1 Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: CORVAS INTERNATIONAL, INC. 2003-01-14 US disclosed
WO-2001079261-A1 TETRAHYDRO-AZEPINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
WO-2001079195-A2 PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
WO-2001079193-A2 SUBSTITUTED HYDRAZINYL HETEROAROMATIC INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 2001-10-25 WO disclosed
WO-2001079262-A1 PYRAZINONE AND PYRIDINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 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 (1 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 RXRA 2832/4885RXRB 2810/4885RXRG 3335/4885

“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.