SCHEMBL4770481

SCHEMBL4770481

Cc1ncc2c(n1)CCN(C(=O)Cc1[nH]nc(C)c1Oc1cc(Cl)cc(C#N)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
HSP90AA1 P07900 4/20 0.41
HSP90AB1 P08238 2/20 0.41
CYP3A4 P08684 3/20 0.36
HSP90B1 P14625 1/20 0.36
MAPT P10636 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
FYN P06241 1/20 0.32
ENPP2 Q13822 2/20 0.31
PDGFRB P09619 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
SCHEMBL4766432 0.79 MEN1 (0.45) MAPT
SCHEMBL4773462 0.78 LMNA (0.39) MAPT
SCHEMBL4769896 0.76 RAB9A (0.47) MAPT
SCHEMBL14291275 0.76 ALDH1A1 (0.42) MAPT
SCHEMBL5619683 0.73 ROCK1 (0.41)
SCHEMBL5226802 0.73 KCNH2 (0.50) KCNH2CYP3A4MAPTCYP2D6CYP2C9
SCHEMBL509996 0.73 KCNH2 (0.50) KCNH2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1347408 0.72 KCNH2 (0.48) KCNH2CYP3A4MAPTCYP2D6CYP2C9
SCHEMBL10250900 0.72 KCNH2 (0.78) KCNH2CYP3A4MAPTCYP2D6CYP2C9
SCHEMBL508668 0.72 HPGD (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
EP-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 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-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 KCNH2 2921/4885HSP90AA1 4316/4885HSP90AB1 3967/4885

“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.