SCHEMBL18458312

SCHEMBL18458312

CC(=O)c1ccc(-c2ccsc2)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 7/20 0.46
▸ PRKCI P41743 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ CREBBP Q92793 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40

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
SCHEMBL28211105 0.84 MAPT (0.44) CHEK2HDAC1MAPTIKBKBALDH1A1
SCHEMBL29713875 0.81 MAPT (0.41) CHEK2MAPTALDH1A1NPC1RAB9A
SCHEMBL27223707 0.81 MAPT (0.41) CHEK2MAPTALDH1A1NPC1RAB9A
SCHEMBL31403418 0.80 HSD17B1 (0.54) PRKCIMAPTCREBBPNPC1RAB9A
SCHEMBL3790376 0.77 PRKCI (0.50) PRKCIMAPTCREBBPNPC1RAB9A
SCHEMBL3800105 0.77 MAPT (0.55) PRKCIMAPTALDH1A1CREBBPNPC1
SCHEMBL18458311 0.77 MAPT (0.48) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL18458070 0.76 IDH2 (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL9537225 0.76 MAPT (0.53) PRKCIMAPTALDH1A1CREBBPNPC1
SCHEMBL6516791 0.74 HSD17B1 (0.55) CHEK2HDAC1MAPTCHEK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330263-B1 PHENYLUREA DERIVATIVES AS ISOCITRATE DEHYDROGENASE 2 INHIBITORS FOR TREATING CANCER CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2020-11-18 — — EP disclosed
US-10155722-B2 Antitumor compound targeting IDH2 mutation and method of use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-12-18 — — US disclosed
US-20180222853-A1 ANTITUMOR COMPOUND TARGETING IDH2 MUTATION AND METHOD OF USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-08-09 — — US disclosed
US-20180222853-A1 ANTITUMOR COMPOUND TARGETING IDH2 MUTATION AND METHOD OF USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-08-09 — — US disclosed
US-20180222853-A1 ANTITUMOR COMPOUND TARGETING IDH2 MUTATION AND METHOD OF USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-08-09 — — US disclosed
EP-3330263-A1 ANTITUMOR COMPOUND TARGETING IDH2 MUTATION AND METHOD OF USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2018-06-06 — — EP disclosed
WO-2017016523-A1 ANTITUMOR COMPOUND TARGETING IDH2 MUTATION AND METHOD OF USE THEREOF 正大天晴药业集团股份有限公司 2017-02-02 — — WO 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-10155722-B2 Antitumor compound targeting IDH2 mutation and method of use thereof IDH2, IDH3A, IDH1 CHEK2 103/4885PRKCI 973/4885HDAC1 172/4885
US-20180222853-A1 ANTITUMOR COMPOUND TARGETING IDH2 MUTATION AND METHOD OF USE THEREOF IDH2, IDH3A, IDH1 CHEK2 103/4885PRKCI 973/4885HDAC1 172/4885

“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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