SCHEMBL9447422

SCHEMBL9447422

CNC(C)c1cccc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ MAP4K4 O95819 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CCR1 P32246 1/20 0.43
▸ CCR8 P51685 1/20 0.43
▸ NOS3 P29474 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ FDPS P14324 1/20 0.36
▸ FDFT1 P37268 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ LTC4S Q16873 1/20 0.35
▸ GRM5 P41594 6/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL15868176 0.87 IRAK4 (0.40) IRAK4MAP4K4MEN1KMT2AALDH1A1
SCHEMBL16130221 0.85 MAP4K4 (0.46) IRAK4MAP4K4HTTRECQLCCR1
SCHEMBL15587862 0.82 MAP4K4 (0.43) IRAK4MAP4K4HTTRECQLCCR1
SCHEMBL19226473 0.82 MAP4K4 (0.43) IRAK4MAP4K4HTTRECQLCCR1
SCHEMBL17886900 0.79 MAP4K4 (0.45) IRAK4MAP4K4HTTRECQLCCR1
SCHEMBL102150 0.78 CCR1 (0.50) MAP4K4HTTRECQLCCR1CCR8
SCHEMBL23226823 0.78 KCNH2 (0.40) IRAK4MAP4K4SMN1; SMN2CYP3A4CYP2C19
SCHEMBL15890717 0.76 MAP4K4 (0.46) IRAK4MAP4K4HTTRECQLCCR1
SCHEMBL23666724 0.76 RAB9A (0.43) MAP4K4HTTRECQLRAB9AFDPS
SCHEMBL954513 0.75 CCR1 (0.52) MAP4K4HTTRECQLCCR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 — — WO disclosed
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 — — EP disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 — — EP disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 — — US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 — — US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
US-5246946-A Antiarrhythmia agents and cardiovascular disorders EISAI CO., LTD. (JP) 1993-09-21 — — US disclosed
EP-0304888-B1 SULFONAMIDOLPHENYL DERIVATES AND THERAPEUTIC AND PREVENTIVE AGENTS FOR ARRYTHMIA CONTAINING SAME Eisai Co., Ltd. (JP) 1992-11-11 — — EP disclosed
US-5162347-A Piperidine derivatives and therapeutic and preventive agents for arrhythmia containing same EISAI CO., LTD. (JP) 1992-11-10 — — US disclosed
US-5082850-A PIPERIDINE DERIVATIVES AND THERAPEUTIC AND PREVENTIVE AGENTS FOR ARRHYTHMIA CONTAINING SAME EISAI CO., LTD. (JP) 1992-01-21 — — US disclosed
US-4977165-A Piperidine derivative and therapeutic and preventive agents for arrhythmia containing same EISAI CO., LTD. (JP) 1990-12-11 — — US disclosed
EP-0304888-A1 Sulfonamidolphenyl derivates and therapeutic and preventive agents for arrythmia containing same Eisai Co., Ltd. (JP) 1989-03-01 — — EP 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 (3 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 IRAK4 259/4885MAP4K4 27/4885HTT 4749/4885
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL IRAK4 1358/4885MAP4K4 700/4885HTT 4454/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 IRAK4 259/4885MAP4K4 27/4885HTT 4749/4885

“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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