SCHEMBL16549233

SCHEMBL16549233

COCCCNc1nc(Cl)nc2c1ncn2C1CCCCO1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.68
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ADORA3 P0DMS8 5/20 0.45
▸ ADORA1 P30542 3/20 0.44
▸ FLT3 P36888 3/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ADORA2A P29274 1/20 0.41

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
SCHEMBL17929775 0.94 YTHDC1 (0.70) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL20104998 0.89 YTHDC1 (0.72) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL16549246 0.87 YTHDC1 (0.69) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL28433352 0.87 YTHDC1 (0.74) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL6944140 0.86 CTSL (0.54) YTHDC1ADORA3ADORA1FLT3
SCHEMBL17902915 0.85 YTHDC1 (0.71) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL6949990 0.85 CTSL (0.56) YTHDC1ADORA3ADORA1FLT3
SCHEMBL28426649 0.82 YTHDC1 (0.67) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL17902904 0.82 YTHDC1 (0.72) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL19049986 0.81 YTHDC1 (1.00) YTHDC1NPC1RAB9ASMN1; SMN2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3040337-B1 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF ZHEJIANG MED XINCHANG PHARM (CN) 2019-04-17 — — EP disclosed
US-9718823-B2 2, 6-Di-nitrogen-containing substituted purine derivative, and preparation method, pharmaceutical composition and use thereof ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2017-08-01 — — US disclosed
US-20160207924-A1 2, 6-Di-Nitrogen-Containing Substituted Purine Derivative, And Preparation Method, Pharmaceutical Composition And Use Thereof ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2016-07-21 — — US disclosed
EP-3040337-A1 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2016-07-06 — — EP disclosed
WO-2015027667-A1 2, 6-DI-NITROGEN-CONTAINING SUBSTITUTED PURINE DERIVATIVE, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 浙江医药股份有限公司新昌制药厂 (CN) 2015-03-05 — — 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 (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-20160207924-A1 2, 6-Di-Nitrogen-Containing Substituted Purine Derivative, And Preparation Method, Pharmaceutical Composition And Use Thereof NUDT1, PNP, SLC29A2 YTHDC1 638/4885NPC1 447/4885RAB9A 1373/4885

“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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