SCHEMBL5562201

SCHEMBL5562201

Cc1cnc(N2CCCCC2)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.49
RPS6KA5 O75582 1/20 0.43
TSHR P16473 1/20 0.43
GBA1 P04062 1/20 0.43
SMO Q99835 1/20 0.41
MAPK1 P28482 1/20 0.41
HCRTR2 O43614 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HTR3A P46098 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
SCHEMBL20288319 0.86 HTR3A (0.54) POLBSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL9170525 0.81 ALDH1A1 (0.60) POLBSMN1; SMN2ALDH1A1TSHRSMO
SCHEMBL1708343 0.81 POLB (0.58) POLBSMN1; SMN2ALDH1A1TSHRGBA1
SCHEMBL25695026 0.80 ALDH1A1 (0.47) POLBSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL2255793 0.78 POLB (0.47) POLBSMN1; SMN2ALDH1A1TSHRGBA1
SCHEMBL18005507 0.77 POLB (0.54) POLBSMN1; SMN2ALDH1A1TSHRGBA1
SCHEMBL26077302 0.76 POLB (0.62) POLBSMN1; SMN2ALDH1A1TSHRGBA1
SCHEMBL9966953 0.76 RPS6KA5 (0.46) POLBSMN1; SMN2ALDH1A1RPS6KA5TSHR
SCHEMBL2555821 0.76 CYP3A4 (0.51) POLBSMN1; SMN2ALDH1A1SMOHCRTR2
SCHEMBL26975238 0.74 POLB (0.44) POLBSMN1; SMN2ALDH1A1GBA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100465164-C CF3Selective synthesis of-substituted pyrimidines PFIZER (US) 2009-03-04 CN disclosed
EP-1663991-B1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES PFIZER PROD INC (US) 2007-01-10 EP disclosed
EP-1663991-B1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES PFIZER PROD INC (US) 2007-01-10 EP disclosed
US-7122670-B2 Selective synthesis of CF3-substituted pyrimidines PFIZER INC (US) 2006-10-17 US disclosed
CN-1845906-A Selective synthesis of CF 3-substituted pyrimidines PFIZER (US) 2006-10-11 CN disclosed
EP-1663991-A1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES Pfizer Products Inc. (US) 2006-06-07 EP disclosed
US-20050101620-A1 Selective synthesis of CF3-substituted pyrimidines PFIZER INC. 2005-05-12 US disclosed
WO-2005023780-A1 SELECTIVE SYNTHESIS OF CF3-SUBSTITUTED PYRIMIDINES PFIZER PRODUCTS INC. (US) 2005-03-17 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-20050101620-A1 Selective synthesis of CF3-substituted pyrimidines HNRNPH3, HNRNPA3, NUDT1 POLB 910/4885SMN1; SMN2 2052/4885ALDH1A1 3033/4885

“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.