SCHEMBL16812482

SCHEMBL16812482

CC[C@@H](C)NC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ POLB P06746 4/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ HPGD P15428 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PDE1B Q01064 3/20 0.36
▸ NR3C1 P04150 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL16812486 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL16812355 0.94 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2APDE2A
SCHEMBL16812493 0.88 NR3C1 (0.39) SMN1; SMN2TP53ALDH1A1MEN1KMT2A
SCHEMBL16812352 0.88 PDE1B (0.38) SMN1; SMN2HSD17B10ALDH1A1POLBMEN1
SCHEMBL16812354 0.88 CDK5 (0.39) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL16794676 0.87 PDE1B (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL18161034 0.85 PDE1B (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APDE1B
SCHEMBL24263381 0.84 PDE1B (0.39) SMN1; SMN2ALDH1A1MEN1KMT2APDE1B
SCHEMBL16794653 0.84 CNR2 (0.41) ALDH1A1POLB
SCHEMBL16794695 0.84 TYK2 (0.44) MEN1KMT2APDE2APDE1BNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 — — US disclosed
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 — — US disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 — — 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 (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-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES TYK2, IFNAR1, JAK3 NPC1 4877/4885RAB9A 2405/4885SMN1; SMN2 4093/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 NPC1 4873/4885RAB9A 2273/4885SMN1; SMN2 4179/4885

“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