SCHEMBL18277741

SCHEMBL18277741

Cc1cc(Nc2ncn(-c3cccc(F)n3)n2)cc(N2CCN(C3COC3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.39
▸ TBK1 Q9UHD2 11/20 0.35
▸ ACVR1 Q04771 2/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ PTK2 Q05397 1/20 0.34

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
SCHEMBL18278480 0.89 MAPK8 (0.35) JAK2TBK1ACVR1
SCHEMBL18277789 0.87 TBK1 (0.38) JAK2TBK1ACVR1FGFR1KDR
SCHEMBL18278484 0.87 JAK2 (0.36) JAK2TBK1ACVR1
SCHEMBL18278543 0.86 JAK2 (0.38) JAK2TBK1ACVR1FGFR1KDR
SCHEMBL18278644 0.86 JAK2 (0.38) JAK2TBK1ACVR1FGFR1KDR
SCHEMBL18278490 0.85 MAPK8 (0.39) JAK2TBK1ACVR1POLBMAPT
SCHEMBL18278687 0.85 MAPT (0.39) JAK2TBK1ACVR1FGFR1KDR
SCHEMBL18278681 0.84 JAK2 (0.37) JAK2TBK1ACVR1FGFR1KDR
SCHEMBL18278323 0.84 ACVR1 (0.36) JAK2TBK1ACVR1FGFR1KDR
SCHEMBL18278638 0.84 USP2 (0.37) JAK2TBK1ACVR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-11-06 — — US claimed
EP-3302465-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES Vertex Pharmaceuticals Incorporated (US) 2018-04-11 — — EP claimed
WO-2016197009-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 — — WO claimed
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 — — US disclosed
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 — — US disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 — — US disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 — — US disclosed
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-11-06 — — US disclosed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 — — US disclosed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 — — US disclosed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 — — 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 (4 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-10118904-B2 Triazoles for the treatment of Demyelinating Diseases PMP22, MYT1, IKZF3 JAK2 1773/4885TBK1 182/4885ACVR1 3450/4885
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 JAK2 1773/4885TBK1 182/4885ACVR1 3450/4885
US-10766869-B2 Triazoles for the treatment of demyelinating dieases PMP22, MYT1, IDE JAK2 3034/4885TBK1 944/4885ACVR1 3432/4885
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 JAK2 1773/4885TBK1 182/4885ACVR1 3450/4885

“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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