SCHEMBL17112862

SCHEMBL17112862

NCCSc1ccnc(-c2ncccc2-c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
GRM5 P41594 2/20 0.38
MPO P05164 1/20 0.37
ULK1 O75385 1/20 0.35
CDK7 P50613 1/20 0.35
CDK5 Q00535 1/20 0.35
PRKCE Q02156 1/20 0.35
CAMK2G Q13555 1/20 0.35
DYRK1A Q13627 1/20 0.35
CDK5R1 Q15078 1/20 0.35
RPS6KA1 Q15418 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
MAP3K19 Q56UN5 1/20 0.35
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
IDO1 P14902 1/20 0.35
DPP4 P27487 1/20 0.35
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL1662278 0.75 HTR1A (0.68) HTR1AHTR7CYP1A2KDM4ELMNA
SCHEMBL12794542 0.75 CCR1 (0.51) HTR1AHTR7GRM5CYP1A2KDM4E
Hydrazine SCHEMBL8524800 0.74 KDM4E (0.52) ULK1CDK7CDK5PRKCECAMK2G
SCHEMBL30031 0.74 KDM4E (0.56) IDO1CYP1A2KDM4ELMNAPOLB
SCHEMBL4844394 0.72 CCR1 (0.52) GRM5CYP1A2KDM4ELMNAPOLB
SCHEMBL4755586 0.72 KDM1A (0.48) IDO1CYP1A2KDM4ELMNAPOLB
SCHEMBL7553180 0.72 CCR1 (0.51) GRM5CYP1A2KDM4ELMNAPOLB
SCHEMBL2138825 0.72 KDM4E (0.42) GRM5IDO1CYP1A2KDM4ELMNA
SCHEMBL16241819 0.72 KDM4E (0.54) IDO1CYP1A2KDM4ELMNAPOLB
SCHEMBL15436287 0.72 KDM4E (0.54) IDO1CYP1A2KDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200199249-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS Akamara Therapeutics, Inc. (US) 2020-06-25 US claimed
EP-3129065-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS Invictus Oncology Pvt. Ltd. (IN) 2017-02-15 EP claimed
US-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2017-01-19 US claimed
WO-2015148126-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2015-10-01 WO claimed
US-11701429-B2 Targeted drug delivery through affinity based linkers Akamara Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20200199249-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS Akamara Therapeutics, Inc. (US) 2020-06-25 US disclosed
US-10533059-B2 Targeted drug delivery through affinity based linkers Akamara Therapeutics, Inc. (US) 2020-01-14 US disclosed
EP-3129065-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS Invictus Oncology Pvt. Ltd. (IN) 2017-02-15 EP disclosed
US-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2017-01-19 US disclosed
WO-2015148126-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2015-10-01 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 (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-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS ABCG2, ADAM8, TIE1 HTR1A 3029/4885HTR7 2227/4885GRM5 1897/4885
US-11701429-B2 Targeted drug delivery through affinity based linkers ABCG2, FCGR2A, ABCB1 HTR1A 3366/4885HTR7 1722/4885GRM5 2062/4885
US-20200199249-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS ABCG2, FCGR2A, ABCB1 HTR1A 3366/4885HTR7 1722/4885GRM5 2062/4885
US-10533059-B2 Targeted drug delivery through affinity based linkers ABCG2, ADAM8, TIE1 HTR1A 3029/4885HTR7 2227/4885GRM5 1897/4885

“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.