SCHEMBL16794640

SCHEMBL16794640

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC4F)cnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.40
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ KAT8 Q9H7Z6 3/20 0.35
▸ PDE1B Q01064 4/20 0.35
▸ NR3C1 P04150 2/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL16794641 1.00 TYK2 (0.40) TYK2MEN1KMT2AF10KAT8
SCHEMBL26101957 1.00 TYK2 (0.40) TYK2MEN1KMT2AF10KAT8
SCHEMBL16812488 1.00 TYK2 (0.40) TYK2MEN1KMT2AF10KAT8
SCHEMBL30452720 0.94 TYK2 (0.39) TYK2MEN1KMT2AKAT8PDE1B
SCHEMBL31161788 0.94 TYK2 (0.37) TYK2F10PDE1BSSTR3CNR1
SCHEMBL16794653 0.89 CNR2 (0.41) TYK2F10CNR1CNR2
SCHEMBL26101467 0.89 TYK2 (0.40) TYK2F10KAT8PDE1BSSTR3
SCHEMBL31161333 0.89 SSTR3 (0.35) TYK2MEN1KMT2AF10PDE1B
SCHEMBL16812485 0.88 HPGDS (0.41) TYK2MEN1KMT2AF10KAT8
SCHEMBL16794701 0.87 YAP1 (0.41) TYK2MEN1KMT2AF10PDE1B

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
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
EP-3080131-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2018-10-10 — — EP 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
EP-3080131-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2016-10-19 — — EP 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 TYK2 1/4885MEN1 3841/4885KMT2A 1271/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 TYK2 1/4885MEN1 3906/4885KMT2A 1273/4885

“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.

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