SCHEMBL508958

SCHEMBL508958

Cc1nn(CCO[Si](C)(C)C(C)(C)C)c(CNCc2cccnc2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 5/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 2/20 0.35
SCN8A Q9UQD0 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL13757662 0.91 MEN1 (0.34) SCN8AMEN1KMT2A
SCHEMBL509006 0.85 MAPK1 (0.41) TSHRCYP1A2CYP2D6ALDH1A1TP53
SCHEMBL509031 0.78 MAPT (0.33) MAPT
SCHEMBL509973 0.76 MAPT (0.35) MAPTLMNA
SCHEMBL509441 0.71 KCNH2 (0.39)
SCHEMBL508716 0.71 KCNH2 (0.39)
SCHEMBL509451 0.70 CYP1A2 (0.45) CYP1A2CYP2D6ALDH1A1TP53POLB
SCHEMBL508952 0.68 KCNH2 (0.41) MAPT
SCHEMBL1347443 0.66 CACNA1G (0.39) SCN8AMAPTLMNAHTT
SCHEMBL24069265 0.65 CYP1A2 (0.72) CYP1A2CYP2D6ALDH1A1TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 TSHR 2158/4885CYP1A2 348/4885CYP2D6 241/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 TSHR 2613/4885CYP1A2 400/4885CYP2D6 229/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD TSHR 3856/4885CYP1A2 307/4885CYP2D6 136/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 TSHR 4085/4885CYP1A2 173/4885CYP2D6 106/4885

“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.