SCHEMBL14938679

SCHEMBL14938679

CC(c1cc[c]cc1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
LTA4H P09960 1/20 0.46
MC4R P32245 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 2/20 0.38
LRRK2 Q5S007 1/20 0.38
KCNA5 P22460 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL3030261 0.82 CYP2D6 (0.52) CYP2D6LTA4HMC4RCYP3A4CYP2C19
SCHEMBL2485451 0.81 CYP2D6 (0.73) CYP2D6LTA4HMC4RALDH1A1CYP3A4
SCHEMBL4631202 0.81 CYP2D6 (0.73) CYP2D6LTA4HMC4RALDH1A1CYP3A4
SCHEMBL6233324 0.81 CYP2D6 (0.50) CYP2D6LTA4HMC4RCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL28177303 0.79 CYP2D6 (0.70) CYP2D6LTA4HMC4RALDH1A1CYP3A4
SCHEMBL23146340 0.78 LTA4H (0.49) CYP2D6LTA4HMC4RALDH1A1CYP3A4
SCHEMBL263756 0.78 LTA4H (0.49) CYP2D6LTA4HMC4RALDH1A1CYP3A4
SCHEMBL1855362 0.78 CHRM2 (0.53) CYP2D6MC4ROPRM1OPRD1OPRK1
SCHEMBL1927517 0.78 LTA4H (0.49) CYP2D6LTA4HMC4RALDH1A1CYP3A4
SCHEMBL2649770 0.78 ALDH1A1 (0.39) CYP2D6ALDH1A1CYP3A4TSHRCYP2C19

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699064-B Hexahydropyrazino-triazinone derivatives as kinase inhibitors UCB生物制药私人有限公司 2021-09-14 CN disclosed
US-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases SYROS PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
US-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS INC (US) 2021-05-20 US disclosed
CN-112368285-A Pyrrolotriazine compounds and methods of inhibiting TAM kinase 希洛斯医药品股份有限公司 2021-02-12 CN disclosed
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2020-10-08 US disclosed
EP-3694860-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES Syros Pharmaceuticals, Inc. (US) 2020-08-19 EP disclosed
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors UCB BIOPHARMA SPRL (BE) 2019-10-22 US disclosed
WO-2019074962-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2019-04-18 WO disclosed
CN-106459046-B Pyrazolo pyridine derivatives as kinase inhibitor UCB生物制药私人有限公司 2019-01-08 CN disclosed
WO-2015193169-A1 FUSED BICYCLIC HETEROAROMATIC DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2015-12-23 WO disclosed
WO-2015193168-A1 FUSED BICYCLIC HETEROAROMATIC DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2015-12-23 WO disclosed
WO-2015193167-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2015-12-23 WO disclosed
EP-2935269-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB Biopharma SPRL (BE) 2015-10-28 EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
EP-2776445-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-09-17 EP disclosed
WO-2014096423-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2014-06-26 WO disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 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 (5 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-20210147431-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 CYP2D6 4525/4885LTA4H 2609/4885MC4R 2179/4885
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 CYP2D6 4525/4885LTA4H 2609/4885MC4R 2179/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 CYP2D6 425/4885LTA4H 1570/4885MC4R 4175/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 CYP2D6 4525/4885LTA4H 2609/4885MC4R 2179/4885
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors PI4KA, PI4KB, PI4K2B CYP2D6 1847/4885LTA4H 2145/4885MC4R 2391/4885

“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.