SCHEMBL7519732

SCHEMBL7519732

CN(c1cccs1)c1ccccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ MAOA P21397 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ BLM P54132 1/20 0.32

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
SCHEMBL2073157 0.75 KDM4E (0.44) ALDH1A1HTTKDM4ESMN1; SMN2CYP1A2
SCHEMBL3040962 0.74 KDM4E (0.38) ALDH1A1HTTKDM4ESMN1; SMN2CYP1A2
SCHEMBL26099756 0.73 FBP1 (0.36) TSHRALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL8568767 0.73 HDAC6 (0.45) TSHRALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL148781 0.72 ALDH1A1 (0.55) TSHRALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL11669381 0.72 TSHR (0.57) TSHRALDH1A1HTTKDM4EGAA
SCHEMBL28628553 0.70 TSHR (0.41) TSHRALDH1A1HTTKDM4EGAA
Iodide SCHEMBL31276096 0.70 ALDH1A1 (0.53) TSHRALDH1A1HTTKDM4ESMN1; SMN2
SCHEMBL11075640 0.70 ALDH1A1 (0.33) ALDH1A1HTTKDM4ELMNAHPGD
SCHEMBL2779567 0.69 NPC1 (0.38) TSHRALDH1A1HTTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-12-19 — — US disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 — — US disclosed
CN-1205008-A Imidazoquinazoline derivatives KYOWA HAKKO KOGYO KK (JP) 1999-01-13 — — CN disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 — — EP 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 (1 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-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives MKI67, HRAS, VHL TSHR 3983/4885ALDH1A1 1807/4885HTT 4124/4885

“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.

Send feedback