SCHEMBL18277906

SCHEMBL18277906

Cc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)cc(N2CC(N3CCOCC3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 6/20 0.40
MAPK8 P45983 4/20 0.40
MAPK9 P45984 1/20 0.40
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
STAT6 P42226 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
EPHB4 P54760 3/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
FGFR1 P11362 2/20 0.33
KDR P35968 2/20 0.33
ACVR1 Q04771 2/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL18277749 0.96 MAPK10 (0.40) MAPK10MAPK8MAPK9CCNT1CCNA2
SCHEMBL18277815 0.94 MAPK10 (0.38) MAPK10MAPK8MAPK9CCNT1CCNA2
SCHEMBL18278116 0.93 MAPK10 (0.42) MAPK10MAPK8MAPK9STAT6MAPT
SCHEMBL18278141 0.92 MAPK8 (0.37) MAPK10MAPK8MAPK9CCNT1CCNA2
SCHEMBL18278483 0.92 MAPK10 (0.41) MAPK10MAPK8MAPK9CCNT1CCNA2
SCHEMBL18277916 0.92 MAPK8 (0.41) MAPK10MAPK8MAPK9CCNT1CCNA2
SCHEMBL18278679 0.91 MAPK8 (0.33) MAPK10MAPK8MAPK9ACVR1MAPK14
SCHEMBL18278074 0.91 MAPK8 (0.34) MAPK10MAPK8MAPK9CCNT1CCNA2
SCHEMBL18294381 0.91 MAPK8 (0.37) MAPK10MAPK8MAPK9FGFR1KDR
SCHEMBL18278369 0.91 MAPK8 (0.38) MAPK10MAPK8MAPK9CCNT1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 US claimed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 US claimed
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-11-06 US 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
EP-3302465-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES Vertex Pharmaceuticals Incorporated (US) 2018-04-11 EP disclosed
WO-2016197009-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 WO disclosed
WO-2016197009-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 WO 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 MAPK10 4557/4885MAPK8 4491/4885MAPK9 3736/4885
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 MAPK10 4557/4885MAPK8 4491/4885MAPK9 3736/4885
US-10766869-B2 Triazoles for the treatment of demyelinating dieases PMP22, MYT1, IDE MAPK10 4659/4885MAPK8 4224/4885MAPK9 3303/4885
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 MAPK10 4557/4885MAPK8 4491/4885MAPK9 3736/4885

“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.