SCHEMBL4655770

SCHEMBL4655770

CN(C)/C=C/C(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.77
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
PTGS1 P23219 2/20 0.62
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
MAPT P10636 2/20 0.62
KCNK3 O14649 2/20 0.62
KCNK9 Q9NPC2 1/20 0.61
LMNA P02545 1/20 0.61
P2RX1 P51575 1/20 0.57
RXFP1 Q9HBX9 2/20 0.55
CYP3A4 P08684 1/20 0.53
CRHBP P24387 1/20 0.53
CYP2C19 P33261 1/20 0.53
CRHR2 Q13324 1/20 0.53
RHOC P08134 1/20 0.53
RHOA P61586 1/20 0.53
POLB P06746 1/20 0.53
BTK Q06187 1/20 0.53

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
SCHEMBL4655771 1.00 ALDH1A1 (0.77) ALDH1A1MEN1KMT2APTGS1HTT
SCHEMBL99942 0.88 ALDH1A1 (1.00) ALDH1A1HTTRAB9AMAPTLMNA
SCHEMBL99941 0.88 ALDH1A1 (1.00) ALDH1A1HTTRAB9AMAPTLMNA
SCHEMBL4655706 0.85 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APTGS1HTT
SCHEMBL4655710 0.85 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APTGS1HTT
SCHEMBL4656855 0.81 MAPT (0.78) ALDH1A1MEN1KMT2APTGS1HTT
SCHEMBL4286068 0.81 MAPT (0.94) MEN1KMT2APTGS1HTTRAB9A
SCHEMBL523929 0.79 MAPT (0.68) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL15094033 0.79 MAPT (0.78) MEN1KMT2APTGS1HTTRAB9A
SCHEMBL523930 0.79 MAPT (0.68) ALDH1A1MEN1KMT2AHTTRAB9A

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-1996594-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-12-03 EP disclosed
WO-2007109093-A2 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-09-27 WO disclosed
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US disclosed
US-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 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 (2 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-20070219186-A1 Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, TYMP, TYMS ALDH1A1 253/4885MEN1 2762/4885KMT2A 2711/4885
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, DUT, TYMP ALDH1A1 115/4885MEN1 3000/4885KMT2A 1939/4885

“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.