SCHEMBL4783313

SCHEMBL4783313

Clc1cccc(Nc2nncc3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.58
KDR P35968 7/20 0.58
KDM4E B2RXH2 4/20 0.57
PDE5A O76074 3/20 0.57
CYP3A4 P08684 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
MAPT P10636 2/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE1C Q14123 1/20 0.57
PDE3A Q14432 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL6606282 0.83 KDR (0.72) EGFRKDRKDM4EPDE5ACYP3A4
SCHEMBL479267 0.82 EGFR (0.76) EGFRKDRKDM4ECYP3A4SMN1; SMN2
SCHEMBL31426459 0.82 EGFR (0.76) EGFRKDRKDM4ECYP3A4SMN1; SMN2
SCHEMBL4820797 0.82 SMN1; SMN2 (0.59) EGFRKDRKDM4ECYP3A4SMN1; SMN2
SCHEMBL4741984 0.79 EGFR (0.58) EGFRKDM4EPDE5ACYP3A4SMN1; SMN2
SCHEMBL13286756 0.79 NPC1 (0.71) EGFRKDRKDM4ECYP3A4SMN1; SMN2
SCHEMBL4933191 0.78 TNF (0.64) EGFRKDM4EPDE5ACYP3A4SMN1; SMN2
SCHEMBL4738808 0.77 PDE5A (0.69) EGFRKDRKDM4EPDE5ACYP3A4
SCHEMBL3759264 0.75 EGFR (0.74) EGFRKDRKDM4ECYP3A4SMN1; SMN2
SCHEMBL3948184 0.75 FADS1 (0.69) EGFRKDRKDM4EPDE5ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
EP-0975605-A1 PYRIDAZINE AND PHTHALAZINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998046574-A1 PYRIDAZINE AND PHTHALAZINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-10-22 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 (3 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 EGFR 1259/4885KDR 1066/4885KDM4E 4283/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL EGFR 2964/4885KDR 4593/4885KDM4E 3408/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG EGFR 3860/4885KDR 4840/4885KDM4E 3229/4885

“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.