SCHEMBL3030261

SCHEMBL3030261

CC(c1cc[c]cc1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.52
MC4R P32245 1/20 0.46
LTA4H P09960 1/20 0.41
CHRM2 P08172 6/20 0.39
CHRM1 P11229 6/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 4/20 0.38
KCNA5 P22460 4/20 0.38
CYP2C19 P33261 4/20 0.38
KCNH2 Q12809 4/20 0.38
ACHE P22303 1/20 0.37
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
KCNE1 P15382 1/20 0.36
SLC6A2 P23975 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
SCHEMBL6233324 0.98 CYP2D6 (0.50) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL8725283 0.84 CYP2D6 (0.42) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL14938679 0.82 CYP2D6 (0.47) CYP2D6MC4RLTA4HOPRM1OPRD1
SCHEMBL1855362 0.82 CHRM2 (0.53) CYP2D6MC4RCHRM2CHRM1OPRM1
SCHEMBL28442102 0.80 CYP2D6 (0.44) CYP2D6MC4RCHRM2CHRM1OPRM1
SCHEMBL16982012 0.78 CYP2D6 (0.56) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL7097730 0.78 CYP2D6 (0.83) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL8983562 0.78 CYP2D6 (0.83) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL8983627 0.78 CYP2D6 (0.83) CYP2D6MC4RLTA4HCHRM2CHRM1
SCHEMBL20899319 0.77 CYP2D6 (0.50) CYP2D6MC4RLTA4HCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018151678-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-08-23 WO claimed
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
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-12-20 US disclosed
EP-3157922-B1 PYRAZOLO-PYRIDINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2018-11-28 EP disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 WO disclosed
US-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS CASH BRANDON (US) 2013-02-14 US disclosed
US-20130018151-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING VULCANIZED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-17 US disclosed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
EP-2166850-A1 NEW HETEOCYCLIC H3 ANTAGONISTS High Point Pharmaceuticals, LLC (US) 2010-03-31 EP disclosed
EP-2014656-A2 New heteocyclic h3 antagonists TRANSTECH PHARMA (US) 2009-01-14 EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 WO disclosed
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 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 (8 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 4525/4885MC4R 2179/4885LTA4H 2609/4885
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 CYP2D6 4525/4885MC4R 2179/4885LTA4H 2609/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF CYP2D6 1052/4885MC4R 4044/4885LTA4H 4543/4885
US-20100267721-A1 Heterocyclic H3 Antagonists HRH3, HRH4, HRH2 CYP2D6 1681/4885MC4R 265/4885LTA4H 821/4885
US-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CYP2D6 2205/4885MC4R 3093/4885LTA4H 356/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 CYP2D6 4525/4885MC4R 2179/4885LTA4H 2609/4885
US-10450320-B2 Hexahydropyrazinotriazinone derivatives as kinase inhibitors PI4KA, PI4KB, PI4K2B CYP2D6 1847/4885MC4R 2391/4885LTA4H 2145/4885
US-20180362532-A1 Hexahydropyrazinotriazinone Derivatives as Kinase Inhibitors PI4KA, PI4KB, PI4K2B CYP2D6 1847/4885MC4R 2391/4885LTA4H 2145/4885

“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.