SCHEMBL5488770

SCHEMBL5488770

Cc1ccc(C(=O)NC2CC2)c(F)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TAS1R3 Q7RTX0 5/20 0.46
TAS1R1 Q7RTX1 4/20 0.46
TAS1R2 Q8TE23 4/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
P2RX7 Q99572 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL5632240 0.82 P2RX7 (0.55) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL7645833 0.76 HPGD (0.55) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL29785739 0.75 ABL1 (0.48) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL455691 0.75 RAB9A (0.53) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL27964418 0.75 P2RX7 (0.54) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL16236229 0.75 RAB9A (0.53) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL5491274 0.74 MEN1 (0.55) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL31356586 0.74 MEN1 (0.55) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL31225023 0.73 KDM4E (0.40) HPGDCYP1A2KDM4EALDH1A1
SCHEMBL1671271 0.73 KDM4E (0.40) HPGDCYP1A2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 HPGD 909/4885NPC1 1130/4885RAB9A 3546/4885

“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.