SCHEMBL5844067

SCHEMBL5844067

CCc1c(Cl)nc(C)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL857094 0.87 CYP1A2 (0.36) PDK2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL259365 0.84 SMN1; SMN2 (0.42) PDK2KDM4E
SCHEMBL16476945 0.80 PDK2 (0.31) PDK2
SCHEMBL501823 0.80 ALDH1A1 (0.39) CYP1A2
SCHEMBL12495762 0.77 PDK2 (0.42) PDK2CYP1A2KDM4E
SCHEMBL7519075 0.77 TDP1 (0.39) PDK2TDP1
SCHEMBL20840567 0.76 KDM4E (0.34) PDK2TDP1KDM4E
SCHEMBL12495474 0.76 SMN1; SMN2 (0.46) TDP1CYP1A2CYP2D6CYP2C9KDM4E
SCHEMBL22994717 0.75 PDK2 (0.41) PDK2KDM4E
SCHEMBL857121 0.74 PDK2 (0.43) PDK2KDM4E

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
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 — — US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 — — US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 — — US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 — — US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 — — US disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 — — EP disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 — — US disclosed
EP-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 — — EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 — — 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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 PDK2 3706/4885TDP1 4199/4885CYP1A2 3561/4885

“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.

Send feedback