SCHEMBL18277939

SCHEMBL18277939

Cc1cc(Nc2ncn(-c3cccc(Cl)n3)n2)cc(N2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BACE1 P56817 2/20 0.36
▸ AXL P30530 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL18278350 0.82 MAPT (0.46) HTTLMNASMN1; SMN2CCNA2CDK2
SCHEMBL18278489 0.81 CCNT1 (0.37) HTTLMNASMN1; SMN2CCNA2CDK2
SCHEMBL18278091 0.80 MAPT (0.44) HTTLMNASMN1; SMN2CCNA2CDK2
SCHEMBL18278001 0.79 HTT (0.40) HTTLMNASMN1; SMN2CCNA2CDK2
SCHEMBL18278823 0.78 MAPT (0.41) HTTLMNASMN1; SMN2CCNA2CDK2
SCHEMBL18278929 0.77 USP30 (0.45) HTTLMNASMN1; SMN2CCNA2CDK2
SCHEMBL18278952 0.77 MAPT (0.45) SMN1; SMN2KMT2AALDH1A1MAPTHSD17B10
SCHEMBL18278737 0.76 FLT3 (0.49) CCNA2CDK2CDK9KDM4EKDR
SCHEMBL18277877 0.76 APP (0.46) HTTLMNASMN1; SMN2CCNA2CDK2
SCHEMBL18277741 0.75 JAK2 (0.39) MAPTKDRFGFR1EPHB4JAK2

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-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
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 HTT 313/4885LMNA 2906/4885SMN1; SMN2 32/4885
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 HTT 313/4885LMNA 2906/4885SMN1; SMN2 32/4885
US-10766869-B2 Triazoles for the treatment of demyelinating dieases PMP22, MYT1, IDE HTT 998/4885LMNA 3490/4885SMN1; SMN2 119/4885
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 HTT 313/4885LMNA 2906/4885SMN1; SMN2 32/4885

“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.

Send feedback