SCHEMBL1202385

SCHEMBL1202385

O=C(Nc1cnc2ccc(NCc3ccc(F)cc3)nn12)c1ccc2[nH]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.47
PIM1 P11309 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 3/20 0.42
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
NTRK1 P04629 4/20 0.41
NTRK3 Q16288 2/20 0.40
NTRK2 Q16620 2/20 0.40
IKBKB O14920 2/20 0.40
DYRK3 O43781 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 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
SCHEMBL1202923 0.88 FYN (0.56) FYNMAOBIKBKBCDK2
SCHEMBL1202861 0.83 NPC1 (0.50) FYNPIM1NPC1RAB9AALDH1A1
SCHEMBL1202320 0.82 PIM1 (0.66) FYNPIM1ALDH1A1KDM4ECXCR1
SCHEMBL1203493 0.81 KDM4E (0.61) FYNPIM1ALDH1A1KDM4ECXCR1
SCHEMBL1202799 0.81 PIM1 (0.56) FYNPIM1ALDH1A1KDM4ECXCR1
SCHEMBL2950889 0.81 FYN (0.68) FYNPIM1NTRK1NTRK3NTRK2
SCHEMBL1202887 0.79 FYN (0.52) FYNPIM1RAB9AALDH1A1KDM4E
SCHEMBL1203786 0.78 SMN1; SMN2 (0.56) FYNPIM1NPC1RAB9AKDM4E
SCHEMBL1202193 0.78 NTRK1 (0.50) FYNPIM1NPC1RAB9AALDH1A1
SCHEMBL1203552 0.76 FYN (0.57) FYNPIM1ALDH1A1KDM4ENTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 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-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 FYN 403/4885PIM1 1/4885NPC1 3092/4885

“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.