SCHEMBL21240993

SCHEMBL21240993

Cc1ccncc1-c1nnnn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
PDE2A O00408 3/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE10A Q9Y233 3/20 0.39
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
CYP17A1 P05093 2/20 0.38
CYP1A2 P05177 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 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
SCHEMBL26354014 0.86 PDE10A (0.40) ALDH1A1PDE2ACA12CA1CA2
SCHEMBL20684741 0.83 CA12 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL23072541 0.81 ALDH1A1 (0.42) ALDH1A1PDE2APDE10ACYP11B1CYP11B2
SCHEMBL22787444 0.79 CA12 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL22786993 0.76 KCNN4 (0.47) ALDH1A1SMN1; SMN2P2RX7
SCHEMBL3421743 0.73 TDO2 (0.49) CYP11B1CYP11B2CYP17A1CYP1A2CYP2E1
SCHEMBL29988790 0.73 TDO2 (0.49) CYP11B1CYP11B2CYP17A1CYP1A2CYP2E1
SCHEMBL22322904 0.73 SMN1; SMN2 (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL21241335 0.73 BRD4 (0.45) PDE2APDE10ACYP11B1CYP11B2CYP17A1
SCHEMBL21042761 0.71 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2CYP11B1CYP11B2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858949-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-01-02 US disclosed
US-11858949-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-01-02 US disclosed
US-11832511-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-11-28 US disclosed
US-11778899-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-03 US disclosed
US-20200392173-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-12-17 US disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 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-20200392173-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND L1CAM, MEN1, LEF1 ALDH1A1 97/4885PDE2A 4803/4885CA12 618/4885
US-11832511-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound L1CAM, NOM1, FOXM1 ALDH1A1 110/4885PDE2A 4825/4885CA12 633/4885
US-11778899-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound L1CAM, NOM1, MEN1 ALDH1A1 94/4885PDE2A 4811/4885CA12 464/4885
US-11858949-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound L1CAM, MEN1, LEF1 ALDH1A1 97/4885PDE2A 4803/4885CA12 618/4885

“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.