SCHEMBL10008705

SCHEMBL10008705

O=C(CCc1ccccc1)Nc1ncc(Cc2ccc(F)c(F)c2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.69
▸ ZAP70 P43403 1/20 0.69
▸ SYK P43405 1/20 0.69
▸ NPC1 O15118 6/20 0.54
▸ RAB9A P51151 6/20 0.54
▸ MAPT P10636 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ HTT P42858 1/20 0.54
▸ LMNA P02545 4/20 0.53
▸ TP53 P04637 2/20 0.53
▸ SIRT2 Q8IXJ6 3/20 0.52
▸ SCD O00767 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ CCNE1 P24864 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ CDK5 Q00535 2/20 0.49
▸ NFKB1 P19838 2/20 0.48

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
SCHEMBL10008889 0.92 JAK2 (0.62) JAK2ZAP70SYKNPC1RAB9A
SCHEMBL10009862 0.90 JAK2 (0.60) JAK2ZAP70SYKNPC1RAB9A
SCHEMBL10299099 0.89 KMT2A (0.63) JAK2ZAP70SYKNPC1RAB9A
SCHEMBL10009245 0.87 SIRT2 (0.65) JAK2ZAP70SYKNPC1RAB9A
SCHEMBL10009438 0.86 JAK2 (0.57) JAK2ZAP70SYKNPC1RAB9A
SCHEMBL10008564 0.86 SIRT2 (0.63) JAK2ZAP70SYKNPC1RAB9A
SCHEMBL10008485 0.83 NPC1 (0.57) JAK2ZAP70SYKNPC1RAB9A
SCHEMBL10008337 0.83 SIRT2 (0.60) JAK2ZAP70SYKNPC1RAB9A
SCHEMBL10008543 0.83 KMT2A (0.65) JAK2ZAP70SYKNPC1RAB9A
SCHEMBL10009298 0.83 LMNA (0.55) JAK2ZAP70SYKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US claimed
WO-2012092471-A2 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — WO claimed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — US claimed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US disclosed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US disclosed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — 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 (1 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-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME TUBB1, TUBA1C, TUBB JAK2 2436/4885ZAP70 2941/4885SYK 2330/4885

“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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