SCHEMBL1965599

SCHEMBL1965599

CCOC(=O)c1cc2ccc(C(F)(F)F)cc2n1NCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.44
NOD1 Q9Y239 2/20 0.44
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 1/20 0.41
CCR2 P41597 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1968445 0.84 NOD2 (0.58) NOD2NOD1KDM4ENPSR1TP53
SCHEMBL1966111 0.83 KDM4E (0.48) NOD2NOD1KDM4ENPSR1TP53
SCHEMBL1966078 0.77 MAPT (0.42) NOD2NOD1KDM4ENPSR1TP53
SCHEMBL2139773 0.77 ALOX5 (0.46) NOD2NOD1KDM4EALDH1A1MAPT
SCHEMBL1969847 0.76 MAOB (0.43) NOD2NOD1KDM4EMAPTMAOB
SCHEMBL1968726 0.74 KMT2A (0.47) NOD2NOD1TP53ALDH1A1POLB
SCHEMBL6307714 0.71 CCR2 (0.74) NOD2NOD1KDM4ENPSR1ALDH1A1
SCHEMBL27858638 0.70 CCR2 (0.39) KDM4ETP53ALDH1A1POLBHTT
SCHEMBL30995214 0.70 USP2 (0.43) NOD2NOD1KDM4EUSP2ALDH1A1
SCHEMBL4198841 0.69 NOD2 (0.77) NOD2NOD1KDM4ENPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334682-B1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN INC (US) 2017-10-04 EP disclosed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US disclosed
EP-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 EP disclosed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO disclosed
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE FIBROGEN, INC. 2010-02-25 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 (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-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE HIF1AN, HIF1A, EGLN3 NOD2 4164/4885NOD1 4514/4885KDM4E 471/4885

“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.