SCHEMBL2513372

SCHEMBL2513372

CC1(C)OB(c2cnn(CC3CCCO3)c2)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
CYP1A2 P05177 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 8/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
TSHR P16473 3/20 0.37
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL15377147 1.00 FFAR1 (0.50) FFAR1CYP1A2TDP1CYP2C9CYP2C19
SCHEMBL15376095 1.00 FFAR1 (0.50) FFAR1CYP1A2TDP1CYP2C9CYP2C19
SCHEMBL1850738 0.96 FFAR1 (0.49) FFAR1CYP1A2TDP1CYP2C9CYP2C19
SCHEMBL19552312 0.93 FFAR1 (0.53) FFAR1TDP1ALDH1A1USP2HTT
SCHEMBL31030386 0.85 FFAR1 (0.56) FFAR1
SCHEMBL15359061 0.84 FFAR1 (0.49) FFAR1
SCHEMBL15377247 0.84 FFAR1 (0.49) FFAR1
SCHEMBL15334053 0.84 FFAR1 (0.49) FFAR1
SCHEMBL2535927 0.81 FFAR1 (0.58) FFAR1CNR1CNR2
SCHEMBL2997065 0.81 FFAR1 (0.55) FFAR1JAK2JAK1JAK3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2019074962-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2019-04-18 WO disclosed
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
US-20160184282-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
US-9193723-B2 NAMPT inhibitors ABBVIE INC. (US) 2015-11-24 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
EP-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 EP disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 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 (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 FFAR1 3175/4885CYP1A2 4241/4885TDP1 1135/4885
US-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 FFAR1 285/4885CYP1A2 858/4885TDP1 4590/4885
US-20200317676-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES PLK2, MAP3K5, CAMKK2 FFAR1 3175/4885CYP1A2 4241/4885TDP1 1135/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 FFAR1 285/4885CYP1A2 858/4885TDP1 4590/4885
US-20160184282-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT FFAR1 2750/4885CYP1A2 4236/4885TDP1 2753/4885
US-11040981-B2 Pyrrolotriazine compounds and methods of inhibiting TAM kinases PLK2, MAP3K5, CAMKK2 FFAR1 3175/4885CYP1A2 4241/4885TDP1 1135/4885
US-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT FFAR1 2750/4885CYP1A2 4236/4885TDP1 2753/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT FFAR1 2750/4885CYP1A2 4236/4885TDP1 2753/4885

“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.