SCHEMBL4496945

SCHEMBL4496945

Clc1nc(-c2cc3ccccc3[nH]2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ ITK Q08881 6/20 0.48
▸ METAP1 P53582 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ ESR1 P03372 3/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ CHEK1 O14757 1/20 0.41

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
SCHEMBL4043730 0.73 RAB9A (0.49) NPC1RAB9AITKKDM4EMEN1
SCHEMBL26598946 0.73 METAP1 (0.51) METAP1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL28399450 0.73 RAB9A (0.61) NPC1RAB9AITKKDM4EMEN1
SCHEMBL17799963 0.72 SLC6A3 (0.49) —
SCHEMBL14012751 0.72 KDR (0.54) NPC1RAB9AITKKDM4EMEN1
SCHEMBL21174591 0.71 METAP1 (0.57) NPC1RAB9AMETAP1KDM4EMEN1
SCHEMBL384799 0.71 METAP1 (0.61) METAP1MEN1KMT2ALMNA
SCHEMBL16404333 0.71 METAP1 (0.61) NPC1RAB9AMETAP1KDM4EMEN1
SCHEMBL27109712 0.70 AURKA (0.54) NPC1RAB9AITKKDM4EMEN1
SCHEMBL19136142 0.70 METAP1 (0.51) NPC1RAB9AMETAP1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 — — US disclosed
CN-101460490-A Substituted ring fused azines and their use in cancer therapy AUCKLAND UNISERVICES LTD (NZ) 2009-06-17 — — CN 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-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 NPC1 1687/4885RAB9A 1026/4885ITK 1604/4885

“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.

Send feedback