SCHEMBL3626482

SCHEMBL3626482

c1ccc(CNCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
KIF11 P52732 1/20 0.55
MAOA P21397 1/20 0.53
CHRM2 P08172 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
SIGMAR1 Q99720 4/20 0.48
KCNN4 O15554 1/20 0.48
DRD4 P21917 1/20 0.46
MPO P05164 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30871637 0.88 MEN1 (0.50) MEN1KMT2ATDP1KIF11MAOA
SCHEMBL29679194 0.86 KIF11 (0.65) MEN1KMT2ATDP1KIF11CHRM2
SCHEMBL12264131 0.83 KIF11 (0.74) MEN1KMT2ATDP1KIF11KCNN4
SCHEMBL3435476 0.81 KCNN4 (0.58) MEN1KMT2ATDP1KIF11MAOA
SCHEMBL5764 0.81 MEN1 (1.00) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4913828 0.79 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4922899 0.79 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5040570 0.79 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Water SCHEMBL4230715 0.79 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2
Ammonia Solution, Strong SCHEMBL6678345 0.79 MEN1 (0.94) MEN1KMT2ATDP1MAOACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117222646-A KRAS G12C inhibitors and uses thereof 苏州赞荣医药科技有限公司 2023-12-12 CN disclosed
EP-4182308-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP disclosed
CN-116096719-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-09 CN disclosed
WO-2023040989-A1 KRAS G12C INHIBITORS AND USES THEREOF SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-03-23 WO disclosed
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 EP disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP disclosed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP disclosed
WO-2015150555-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 WO disclosed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 US disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 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 (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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MEN1 2826/4885KMT2A 2053/4885TDP1 1761/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MEN1 2826/4885KMT2A 2053/4885TDP1 1761/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 MEN1 4634/4885KMT2A 3569/4885TDP1 1399/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MEN1 2826/4885KMT2A 2053/4885TDP1 1761/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D MEN1 2826/4885KMT2A 2053/4885TDP1 1761/4885

“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.