SCHEMBL18879716

SCHEMBL18879716

CN1CCN(Cc2cc(F)c(N3CCN(C)CC3)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 7/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MC4R P32245 1/20 0.49
▸ LMNA P02545 1/20 0.46
▸ CA2 P00918 1/20 0.41
▸ NCF1 P14598 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL17431925 0.94 ALDH1A1 (0.47) CHKAALDH1A1KDM4EMAPTMC4R
SCHEMBL18876445 0.91 HRH3 (0.46) CHKAALDH1A1KDM4EMAPTMC4R
SCHEMBL18879756 0.91 HRH3 (0.47) CHKAALDH1A1KDM4EMAPTNCF1
SCHEMBL18970043 0.90 ALDH1A1 (0.48) CHKAALDH1A1KDM4EMAPTMC4R
SCHEMBL17432251 0.89 CHKA (0.45) CHKAALDH1A1KDM4EMAPTMC4R
Hydrochloric Acid SCHEMBL17423414 0.88 CHKA (0.44) CHKAALDH1A1KDM4EMAPTMC4R
SCHEMBL20584234 0.87 KDM4E (0.43) CHKAALDH1A1KDM4EMAPTMC4R
SCHEMBL17432212 0.82 WDR5 (0.45) CHKAMAPT
SCHEMBL18754088 0.82 CHKA (0.52) CHKAALDH1A1KDM4EMAPTMC4R
SCHEMBL28551051 0.81 GPR119 (0.45) ALDH1A1KDM4EMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166945-B1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO LTD (KR) 2019-10-09 — — EP disclosed
US-10336765-B2 Dihydropyranopyrimidinone derivatives, and use thereof ST. PHARM CO., LTD. (KR) 2019-07-02 — — US disclosed
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2019-01-15 — — US disclosed
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 — — US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 — — US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 — — 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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 CHKA 805/4885ALDH1A1 2244/4885KDM4E 1255/4885
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT CHKA 1317/4885ALDH1A1 1644/4885KDM4E 1073/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 CHKA 1348/4885ALDH1A1 2275/4885KDM4E 1541/4885
US-10336765-B2 Dihydropyranopyrimidinone derivatives, and use thereof TNKS1BP1, TPI1, TNKS CHKA 2514/4885ALDH1A1 831/4885KDM4E 818/4885

“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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