SCHEMBL10145031

SCHEMBL10145031

Cc1noc(C)c1-c1cccc(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 15/20 0.59
▸ BRD2 P25440 7/20 0.59
▸ CREBBP Q92793 4/20 0.56
▸ BRD3 Q15059 3/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ KIF11 P52732 1/20 0.47
▸ MLYCD O95822 1/20 0.47
▸ MAP4K4 O95819 1/20 0.46
▸ ERN1 O75460 1/20 0.44

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
SCHEMBL12487 0.80 NPC1 (0.69) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL13624111 0.80 MLYCD (0.64) BRD4BRD2CREBBPBRD3MLYCD
SCHEMBL12866840 0.77 BRD4 (0.57) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL16246450 0.77 BRD4 (0.62) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL980536 0.77 MAP4K4 (0.76) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL9657290 0.77 BRD4 (0.62) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL16404612 0.77 BRD4 (0.62) BRD4BRD2CREBBPBRD3NPC1
Hydrochloric Acid SCHEMBL1016039 0.75 MAP4K4 (0.73) BRD4BRD2CREBBPBRD3NPC1
SCHEMBL5714189 0.75 BRD4 (0.61) BRD4BRD2CREBBPBRD3NPC1
3,5-Dimethyl-4-Phenylisoxazole SCHEMBL12134072 0.75 BRD4 (1.00) BRD4BRD2CREBBPMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 — — US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 — — US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 — — US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 — — US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 — — US disclosed
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 — — 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 (5 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-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS RIPK3, RIPK1, RIPK4 BRD4 719/4885BRD2 1376/4885CREBBP 2753/4885
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA BRD4 144/4885BRD2 254/4885CREBBP 2120/4885
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors RIPK3, RIPK1, RIPK4 BRD4 719/4885BRD2 1376/4885CREBBP 2753/4885
US-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 BRD4 2544/4885BRD2 3096/4885CREBBP 4123/4885
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 BRD4 678/4885BRD2 1309/4885CREBBP 2788/4885

“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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