SCHEMBL11297388

SCHEMBL11297388

Cc1cc(C)cc(Nc2ncc3c(n2)-c2cc(CN(C)C)sc2CS3)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.37
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRC P12931 3/20 0.36
ZAP70 P43403 3/20 0.36
KDR P35968 9/20 0.35
CDK2 P24941 3/20 0.34
EGFR P00533 3/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK9 P50750 1/20 0.32
FYN P06241 1/20 0.32
CYP2A6 P11509 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
SCHEMBL13591972 0.88 NPC1 (0.38) SYKNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL11296466 0.82 SYK (0.37) SYKNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL11296524 0.81 CCNT1 (0.40) SYKNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL11295055 0.81 NPC1 (0.38) SYKNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL11307708 0.81 MAP3K5 (0.46) SRCKDRCDK2EGFRCCNT1
SCHEMBL11296491 0.81 CDK2 (0.46) SYKSRCKDRCDK2EGFR
SCHEMBL11297416 0.78 FLT1 (0.41) SYKKDRCDK2CCNT1CCNA2
SCHEMBL13592042 0.77 HDAC3 (0.40) SYKNPC1TSHRRAB9ASMN1; SMN2
SCHEMBL11293965 0.72 CCNT1 (0.42) SYKCDK2CCNT1CCNA2CDK9
SCHEMBL11298222 0.72 DYRK2 (0.40) SYKCDK2CCNT1CCNA2CDK9

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-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 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 (2 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-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 SYK 604/4885NPC1 2338/4885TSHR 4205/4885
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 SYK 604/4885NPC1 2338/4885TSHR 4205/4885

“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.